 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer04_STD_B3LYPDBJ_augccpVDZ.in
 Output=10_L-serine_conformer04_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-11023.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11028.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer04_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.251931000000     -0.663665000000      0.331107000000
  C                                                 0.190209000000      0.204684000000     -0.343882000000
  C                                                -1.219712000000     -0.345036000000     -0.068508000000
  O                                                -2.135841000000      0.604858000000      0.141712000000
  O                                                 2.566231000000     -0.222950000000      0.011296000000
  N                                                 0.254758000000      1.625934000000      0.010270000000
  O                                                -1.475770000000     -1.518722000000     -0.066506000000
  H                                                 0.319391000000      0.128518000000     -1.428362000000
  H                                                 1.154507000000     -0.574017000000      1.416069000000
  H                                                 1.091659000000     -1.710334000000      0.069937000000
  H                                                -1.642859000000      1.455867000000      0.091840000000
  H                                                 0.567016000000      1.739291000000      0.969467000000
  H                                                 0.922994000000      2.115293000000     -0.569730000000
  H                                                 2.832457000000     -0.617545000000     -0.825436000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251931   -0.663665    0.331107
      2          6           0        0.190209    0.204684   -0.343882
      3          6           0       -1.219712   -0.345036   -0.068508
      4          8           0       -2.135841    0.604858    0.141712
      5          8           0        2.566231   -0.222950    0.011296
      6          7           0        0.254758    1.625934    0.010270
      7          8           0       -1.475770   -1.518722   -0.066506
      8          1           0        0.319391    0.128518   -1.428362
      9          1           0        1.154507   -0.574017    1.416069
     10          1           0        1.091659   -1.710334    0.069937
     11          1           0       -1.642859    1.455867    0.091840
     12          1           0        0.567016    1.739291    0.969467
     13          1           0        0.922994    2.115293   -0.569730
     14          1           0        2.832457   -0.617545   -0.825436
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528690   0.000000
     3  C    2.523933   1.538148   0.000000
     4  O    3.622433   2.409658   1.336332   0.000000
     5  O    1.422636   2.440185   3.788752   4.776165   0.000000
     6  N    2.517847   1.466132   2.462720   2.602852   2.959946
     7  O    2.886100   2.412996   1.201295   2.233526   4.245333
     8  H    2.143109   1.094800   2.107675   2.952998   2.691549
     9  H    1.093010   2.152597   2.809505   3.720231   2.022276
    10  H    1.090602   2.156653   2.688055   3.972659   2.095260
    11  H    3.595758   2.261736   1.856884   0.984751   4.532257
    12  H    2.578916   2.054723   2.934997   3.045908   2.960632
    13  H    2.939781   2.058739   3.300853   3.484829   2.916367
    14  H    1.959026   2.808813   4.131256   5.207075   0.962654
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.590193   0.000000
     8  H    2.077521   2.791174   0.000000
     9  H    2.761450   3.163677   3.046598   0.000000
    10  H    3.440152   2.578182   2.494529   1.762736   0.000000
    11  H    1.906968   2.983483   2.814835   3.701252   4.183646
    12  H    1.015093   3.982570   2.899223   2.428167   3.603376
    13  H    1.011144   4.383306   2.246967   3.351027   3.882402
    14  H    3.517973   4.466421   2.689913   2.800313   2.241932
                   11         12         13         14
    11  H    0.000000
    12  H    2.394599   0.000000
    13  H    2.730590   1.623954   0.000000
    14  H    5.016860   3.729420   3.343626   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.76D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251931   -0.663665    0.331107
      2          6           0        0.190209    0.204684   -0.343882
      3          6           0       -1.219712   -0.345036   -0.068508
      4          8           0       -2.135841    0.604859    0.141712
      5          8           0        2.566231   -0.222951    0.011296
      6          7           0        0.254758    1.625934    0.010270
      7          8           0       -1.475770   -1.518722   -0.066506
      8          1           0        0.319391    0.128518   -1.428362
      9          1           0        1.154507   -0.574017    1.416069
     10          1           0        1.091659   -1.710334    0.069937
     11          1           0       -1.642859    1.455867    0.091840
     12          1           0        0.567016    1.739291    0.969467
     13          1           0        0.922995    2.115293   -0.569730
     14          1           0        2.832457   -0.617546   -0.825436
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5840691           1.8388701           1.3785007
 Leave Link  202 at Thu Aug 12 19:35:18 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       321.8548095216 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0185374140 Hartrees.
 Nuclear repulsion after empirical dispersion term =      321.8362721076 Hartrees.
 Leave Link  301 at Thu Aug 12 19:35:20 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.20D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 19:35:21 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:35:21 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer04_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:35:22 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -399.041108399326    
 DIIS: error= 2.43D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -399.041108399326     IErMin= 1 ErrMin= 2.43D-03
 ErrMax= 2.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-03 BMatP= 5.46D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.43D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.254 Goal=   None    Shift=    0.000
 GapD=    0.254 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.87D-03 MaxDP=2.84D-01              OVMax= 2.03D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.87D-03    CP:  9.99D-01
 E= -399.046706760700     Delta-E=       -0.005598361374 Rises=F Damp=F
 DIIS: error= 4.75D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -399.046706760700     IErMin= 2 ErrMin= 4.75D-04
 ErrMax= 4.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-04 BMatP= 5.46D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.75D-03
 Coeff-Com:  0.978D-02 0.990D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.974D-02 0.990D+00
 Gap=     0.239 Goal=   None    Shift=    0.000
 RMSDP=4.56D-04 MaxDP=2.41D-02 DE=-5.60D-03 OVMax= 5.15D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.37D-04    CP:  9.96D-01  1.04D+00
 E= -399.046531111487     Delta-E=        0.000175649213 Rises=F Damp=F
 DIIS: error= 7.80D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -399.046706760700     IErMin= 2 ErrMin= 4.75D-04
 ErrMax= 7.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-04 BMatP= 1.60D-04
 IDIUse=3 WtCom= 2.64D-01 WtEn= 7.36D-01
 Coeff-Com: -0.163D-01 0.633D+00 0.384D+00
 Coeff-En:   0.000D+00 0.684D+00 0.316D+00
 Coeff:     -0.430D-02 0.671D+00 0.334D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=6.41D-03 DE= 1.76D-04 OVMax= 3.10D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.50D-05    CP:  9.96D-01  1.04D+00  8.35D-01
 E= -399.046830015011     Delta-E=       -0.000298903524 Rises=F Damp=F
 DIIS: error= 8.94D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -399.046830015011     IErMin= 4 ErrMin= 8.94D-05
 ErrMax= 8.94D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-06 BMatP= 1.60D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.771D-02 0.270D+00 0.113D+00 0.625D+00
 Coeff:     -0.771D-02 0.270D+00 0.113D+00 0.625D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=2.54D-05 MaxDP=1.36D-03 DE=-2.99D-04 OVMax= 8.00D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.90D-05    CP:  9.96D-01  1.04D+00  8.55D-01  1.12D+00
 E= -399.046833007639     Delta-E=       -0.000002992628 Rises=F Damp=F
 DIIS: error= 4.06D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -399.046833007639     IErMin= 5 ErrMin= 4.06D-05
 ErrMax= 4.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-06 BMatP= 5.37D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-02 0.455D-01-0.532D-02 0.425D+00 0.537D+00
 Coeff:     -0.192D-02 0.455D-01-0.532D-02 0.425D+00 0.537D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=9.89D-06 MaxDP=5.29D-04 DE=-2.99D-06 OVMax= 5.16D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.32D-06    CP:  9.96D-01  1.04D+00  8.65D-01  1.16D+00  8.22D-01
 E= -399.046834062961     Delta-E=       -0.000001055322 Rises=F Damp=F
 DIIS: error= 1.15D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -399.046834062961     IErMin= 6 ErrMin= 1.15D-05
 ErrMax= 1.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-07 BMatP= 1.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.378D-03-0.644D-03-0.135D-01 0.179D+00 0.311D+00 0.525D+00
 Coeff:     -0.378D-03-0.644D-03-0.135D-01 0.179D+00 0.311D+00 0.525D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=3.30D-06 MaxDP=1.20D-04 DE=-1.06D-06 OVMax= 1.06D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.93D-06    CP:  9.96D-01  1.04D+00  8.68D-01  1.17D+00  7.97D-01
                    CP:  7.02D-01
 E= -399.046834170128     Delta-E=       -0.000000107167 Rises=F Damp=F
 DIIS: error= 1.90D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -399.046834170128     IErMin= 7 ErrMin= 1.90D-06
 ErrMax= 1.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-09 BMatP= 1.25D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.244D-04-0.408D-02-0.456D-02 0.365D-01 0.782D-01 0.191D+00
 Coeff-Com:  0.703D+00
 Coeff:      0.244D-04-0.408D-02-0.456D-02 0.365D-01 0.782D-01 0.191D+00
 Coeff:      0.703D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=7.36D-07 MaxDP=2.78D-05 DE=-1.07D-07 OVMax= 1.18D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.23D-07    CP:  9.96D-01  1.04D+00  8.69D-01  1.17D+00  8.09D-01
                    CP:  7.35D-01  9.23D-01
 E= -399.046834172497     Delta-E=       -0.000000002369 Rises=F Damp=F
 DIIS: error= 5.18D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -399.046834172497     IErMin= 8 ErrMin= 5.18D-07
 ErrMax= 5.18D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-10 BMatP= 2.68D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.218D-04-0.157D-02-0.119D-02 0.732D-02 0.171D-01 0.546D-01
 Coeff-Com:  0.303D+00 0.621D+00
 Coeff:      0.218D-04-0.157D-02-0.119D-02 0.732D-02 0.171D-01 0.546D-01
 Coeff:      0.303D+00 0.621D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=1.62D-07 MaxDP=5.41D-06 DE=-2.37D-09 OVMax= 3.48D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.25D-07    CP:  9.96D-01  1.04D+00  8.69D-01  1.17D+00  8.09D-01
                    CP:  7.38D-01  9.36D-01  8.40D-01
 E= -399.046834172659     Delta-E=       -0.000000000162 Rises=F Damp=F
 DIIS: error= 2.03D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -399.046834172659     IErMin= 9 ErrMin= 2.03D-07
 ErrMax= 2.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.50D-11 BMatP= 2.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.114D-04-0.372D-03-0.983D-04-0.414D-03-0.642D-03 0.587D-02
 Coeff-Com:  0.779D-01 0.338D+00 0.580D+00
 Coeff:      0.114D-04-0.372D-03-0.983D-04-0.414D-03-0.642D-03 0.587D-02
 Coeff:      0.779D-01 0.338D+00 0.580D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=4.85D-08 MaxDP=2.15D-06 DE=-1.62D-10 OVMax= 1.41D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.38D-08    CP:  9.96D-01  1.04D+00  8.69D-01  1.17D+00  8.09D-01
                    CP:  7.38D-01  9.42D-01  8.71D-01  7.85D-01
 E= -399.046834172701     Delta-E=       -0.000000000043 Rises=F Damp=F
 DIIS: error= 5.59D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -399.046834172701     IErMin=10 ErrMin= 5.59D-08
 ErrMax= 5.59D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-12 BMatP= 4.50D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.380D-05-0.835D-04 0.306D-04-0.681D-03-0.149D-02-0.460D-03
 Coeff-Com:  0.213D-01 0.132D+00 0.290D+00 0.559D+00
 Coeff:      0.380D-05-0.835D-04 0.306D-04-0.681D-03-0.149D-02-0.460D-03
 Coeff:      0.213D-01 0.132D+00 0.290D+00 0.559D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=5.46D-07 DE=-4.27D-11 OVMax= 2.82D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.15D-08    CP:  9.96D-01  1.04D+00  8.69D-01  1.17D+00  8.08D-01
                    CP:  7.38D-01  9.42D-01  8.77D-01  7.72D-01  8.59D-01
 E= -399.046834172681     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 1.23D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -399.046834172701     IErMin=11 ErrMin= 1.23D-08
 ErrMax= 1.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-13 BMatP= 2.45D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.345D-06 0.347D-05 0.193D-04-0.208D-03-0.474D-03-0.646D-03
 Coeff-Com:  0.716D-03 0.154D-01 0.521D-01 0.233D+00 0.701D+00
 Coeff:      0.345D-06 0.347D-05 0.193D-04-0.208D-03-0.474D-03-0.646D-03
 Coeff:      0.716D-03 0.154D-01 0.521D-01 0.233D+00 0.701D+00
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=3.68D-09 MaxDP=1.41D-07 DE= 1.99D-11 OVMax= 7.05D-08

 SCF Done:  E(RB3LYP) =  -399.046834173     A.U. after   11 cycles
            NFock= 11  Conv=0.37D-08     -V/T= 2.0059
 KE= 3.967164229373D+02 PE=-1.579087542099D+03 EE= 4.614880128817D+02
 Leave Link  502 at Thu Aug 12 19:36:15 2021, MaxMem=  5368709120 cpu:             417.9 elap:              52.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.57028506D+02

 Leave Link  801 at Thu Aug 12 19:36:15 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 3.50D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 3.94D-01 7.02D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 4.24D-02 3.84D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 1.99D-03 8.24D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 7.23D-05 1.81D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 1.90D-06 2.07D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 3.78D-08 2.51D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 3.00D-10 2.08D-06.
      7 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 1.31D-12 1.80D-07.
      1 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 5.50D-15 1.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension    96 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.681343D+02
      2  0.145580D+00  0.661288D+02
      3 -0.184437D+01  0.357034D+00  0.495217D+02
 Isotropic polarizability for W=    0.088559       61.26 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.241028D+02 -0.385314D+01 -0.253819D+01
      2  -0.191556D+02  0.458628D+01  0.110780D+01
      3  -0.494717D+01 -0.733139D+00  0.143039D+01
      4   0.487721D+01 -0.102118D+02 -0.155886D+01
      5  -0.356112D+01 -0.408419D+01  0.306354D+02
      6  -0.125159D+01 -0.416470D+00  0.674733D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.149227D+00 -0.194054D+01 -0.180724D+01
      2   0.326359D-01 -0.558123D+00  0.138358D+02
      3   0.587584D+01  0.606061D+01  0.182874D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.252533D+01 -0.152427D+01 -0.748047D+01
      2   0.102292D+01 -0.307270D+00  0.355826D+02
      3   0.873036D+01 -0.894381D+01  0.283260D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.397617D-02  0.414308D+00 -0.860913D+00
      2   0.414308D+00  0.762940D+00 -0.164426D+01
      3  -0.860913D+00 -0.164426D+01  0.354476D+00
 OR G Eigenvalues:    -1.2339    -0.1722     2.5275  Iso=    -0.3738
 Eigenvectors:
   (1)   0.342430   0.553866   0.758930
   (2)   0.878281  -0.475609  -0.049182
   (3)   0.333714   0.683395  -0.649312
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3738 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -180.36 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 6.45D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.96D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 4.07D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.28D-02 5.58D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 3.71D-04 2.31D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 2.54D-06 2.28D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.59D-08 1.28D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 3.49D-11 5.90D-07.
     24 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 6.03D-14 2.42D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   204 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.72D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.72D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.23D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.681343D+02  0.145580D+00 -0.184437D+01
      2   0.145580D+00  0.661288D+02  0.357034D+00
      3  -0.184437D+01  0.357034D+00  0.495217D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.149227D+00 -0.194054D+01 -0.180724D+01
      2   0.326359D-01 -0.558123D+00  0.138358D+02
      3   0.587584D+01  0.606061D+01  0.182874D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.241028D+02 -0.385314D+01 -0.253819D+01
      2  -0.191556D+02  0.458628D+01  0.110780D+01
      3  -0.494717D+01 -0.733139D+00  0.143039D+01
      4   0.487721D+01 -0.102118D+02 -0.155886D+01
      5  -0.356112D+01 -0.408419D+01  0.306354D+02
      6  -0.125159D+01 -0.416470D+00  0.674733D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133891D+00 -0.173333D+01  0.817358D+00 -0.341653D+01  0.135856D+01
      2  -0.173333D+01  0.272376D+01 -0.321293D+00  0.135856D+01  0.482227D+01
      3   0.817358D+00 -0.321293D+00  0.196599D+01 -0.396323D+00  0.112325D+01
                 6             7             8             9            10 
      1  -0.396323D+00  0.217831D+01 -0.609720D+00  0.110359D+01  0.169082D+00
      2   0.112325D+01 -0.609720D+00  0.175543D+01  0.442827D-01  0.322045D+01
      3  -0.447812D+00  0.110359D+01  0.442827D-01 -0.799177D+01 -0.819715D+00
                11            12            13            14            15 
      1   0.322045D+01 -0.819715D+00  0.243895D+01 -0.151787D+00 -0.483604D-01
      2  -0.214045D+01  0.597322D+00 -0.151787D+00 -0.356144D+01 -0.741911D+00
      3   0.597322D+00 -0.716498D+00 -0.483604D-01 -0.741911D+00  0.965835D+00
                16            17            18            19            20 
      1  -0.113362D+01  0.120322D+01 -0.114536D+01 -0.246472D+01 -0.231217D+01
      2   0.120322D+01 -0.138659D+01  0.468201D+00 -0.231217D+01  0.158850D+01
      3  -0.114536D+01  0.468201D+00  0.753121D+01 -0.218514D-01  0.184502D+00
                21            22            23            24            25 
      1  -0.218514D-01  0.692110D-01  0.305700D+01  0.334774D+00 -0.133098D+01
      2   0.184502D+00  0.305700D+01  0.660717D+01 -0.657439D-02  0.420466D+00
      3  -0.539325D+00  0.334774D+00 -0.657439D-02  0.483593D+00 -0.199649D+00
                26            27            28            29            30 
      1   0.420466D+00 -0.199649D+00 -0.832486D+01  0.186852D+01  0.530521D+00
      2   0.654684D+00  0.127757D+00  0.186852D+01 -0.275343D+01 -0.265709D+00
      3   0.127757D+00 -0.362388D+00  0.530521D+00 -0.265709D+00 -0.970470D+00
                31            32            33            34            35 
      1  -0.166236D+01 -0.426004D+01  0.206494D-01  0.191335D+01 -0.262684D+00
      2  -0.426004D+01 -0.121646D+01  0.239684D+00 -0.262684D+00  0.180194D+00
      3   0.206494D-01  0.239684D+00  0.517610D+00 -0.182680D+01  0.124720D+01
                36            37            38            39            40 
      1  -0.182680D+01  0.707013D+01  0.526483D+00  0.133589D+01  0.292507D+01
      2   0.124720D+01  0.526483D+00  0.164281D-01 -0.378937D+00  0.487992D+00
      3   0.937303D+00  0.133589D+01 -0.378937D+00 -0.166007D+01 -0.727996D+00
                41            42            43            44            45 
      1   0.487992D+00 -0.727996D+00  0.300299D+01 -0.541552D+00 -0.965057D+00
      2   0.113019D+01  0.285369D+00 -0.541552D+00  0.914608D+00  0.132943D+01
      3   0.285369D+00  0.181207D+01 -0.965057D+00  0.132943D+01  0.442851D+01
                46            47            48            49            50 
      1  -0.215024D+01 -0.249901D+01  0.107563D+01 -0.131037D+01 -0.202540D+01
      2  -0.249901D+01 -0.194669D+01  0.131786D+00 -0.202540D+01  0.446697D+01
      3   0.107563D+01  0.131786D+00 -0.229624D+01  0.424308D+00  0.704464D+00
                51            52            53            54            55 
      1   0.424308D+00  0.139994D+01  0.448253D+00 -0.234814D+01 -0.199054D+01
      2   0.704464D+00  0.448253D+00  0.813752D+00 -0.117540D+01 -0.319689D+01
      3  -0.885823D+00 -0.234814D+01 -0.117540D+01 -0.403783D+01 -0.876073D-01
                56            57            58            59            60 
      1  -0.319689D+01 -0.876073D-01 -0.462607D+01 -0.302461D+01 -0.105055D+00
      2  -0.283033D+01 -0.262678D+00 -0.302461D+01 -0.131582D+02 -0.112411D+00
      3  -0.262678D+00 -0.283454D+00 -0.105055D+00 -0.112411D+00 -0.242993D+01
                61            62            63            64            65 
      1   0.264897D-01 -0.800711D-01 -0.114062D+01  0.392024D+00 -0.457624D+00
      2  -0.800711D-01 -0.852399D-01 -0.320359D+01 -0.457624D+00  0.489910D+00
      3  -0.114062D+01 -0.320359D+01 -0.449538D-01 -0.114532D+01 -0.588385D-01
                66            67            68            69            70 
      1  -0.114532D+01 -0.125568D+01  0.388886D+00  0.168596D+00 -0.172004D+01
      2  -0.588385D-01  0.388886D+00  0.459272D+00 -0.109140D+01 -0.179745D+00
      3   0.118238D+01  0.168596D+00 -0.109140D+01 -0.630015D+00  0.941120D+00
                71            72            73            74            75 
      1  -0.179745D+00  0.941120D+00  0.103003D+00  0.240695D+00  0.913664D+00
      2  -0.148954D+01 -0.959447D-01  0.240695D+00 -0.322790D+00  0.942949D-01
      3  -0.959447D-01 -0.866611D+01  0.913664D+00  0.942949D-01 -0.768006D+00
                76            77            78            79            80 
      1   0.949692D+00 -0.106423D+00 -0.306076D-01  0.167173D+01 -0.237475D+00
      2  -0.106423D+00 -0.422751D+00  0.102384D+01 -0.237475D+00  0.134296D+01
      3  -0.306076D-01  0.102384D+01  0.778660D+00  0.915241D-01 -0.690875D+00
                81            82            83            84            85 
      1   0.915241D-01 -0.843602D+00 -0.861291D+00 -0.355430D+00 -0.146751D+01
      2  -0.690875D+00 -0.861291D+00 -0.390875D+00  0.725285D-01  0.154733D-01
      3   0.876125D+01 -0.355430D+00  0.725285D-01 -0.180170D+00  0.364959D-02
                86            87            88            89            90 
      1   0.154733D-01  0.364959D-02 -0.112907D+01  0.103405D+00 -0.991710D-01
      2  -0.864598D+01 -0.417983D+00  0.103405D+00 -0.140209D+01 -0.114498D+01
      3  -0.417983D+00 -0.106955D+01 -0.991710D-01 -0.114498D+01  0.924237D-01
                91            92            93            94            95 
      1   0.200006D+01  0.212896D+01 -0.280493D+00  0.500768D+01  0.226963D+00
      2   0.212896D+01  0.513847D+00  0.127683D+00  0.226963D+00  0.520535D+01
      3  -0.280493D+00  0.127683D+00 -0.368458D+00 -0.280424D+00  0.192770D+00
                96            97            98            99           100 
      1  -0.280424D+00 -0.480137D+00 -0.134495D+00 -0.641938D+00  0.328749D+00
      2   0.192770D+00 -0.134495D+00 -0.528907D-01  0.660528D+00  0.899720D+00
      3   0.921822D+00 -0.641938D+00  0.660528D+00  0.129071D+00  0.769375D+00
               101           102           103           104           105 
      1   0.899720D+00  0.769375D+00  0.808588D+00  0.393299D+00  0.508834D+00
      2   0.717619D+00  0.790629D+00  0.393299D+00  0.141428D+01  0.796447D+00
      3   0.790629D+00  0.127965D+01  0.508834D+00  0.796447D+00  0.885745D+00
               106           107           108           109           110 
      1   0.190540D+01  0.642472D+00  0.175910D+01  0.309193D+01  0.275276D+01
      2   0.642472D+00  0.270076D+01  0.210456D+01  0.275276D+01  0.353344D+01
      3   0.175910D+01  0.210456D+01  0.606655D+01 -0.118910D+01 -0.107751D+01
               111           112           113           114           115 
      1  -0.118910D+01  0.303694D+01  0.251659D+01 -0.914850D+00 -0.251161D+01
      2  -0.107751D+01  0.251659D+01  0.384403D+01 -0.105183D+01 -0.163180D+01
      3   0.146039D+01 -0.914850D+00 -0.105183D+01  0.114055D+01  0.148778D+01
               116           117           118           119           120 
      1  -0.163180D+01  0.148778D+01  0.275288D+01 -0.577275D+00 -0.154293D+01
      2  -0.250404D+01  0.161601D+01 -0.577275D+00  0.801054D+00  0.366221D+00
      3   0.161601D+01 -0.172220D+01 -0.154293D+01  0.366221D+00  0.189427D+01
               121           122           123           124           125 
      1  -0.149762D+01  0.112350D+01  0.104281D+01 -0.379275D+01  0.859722D+00
      2   0.112350D+01 -0.944726D+00 -0.943718D+00  0.859722D+00 -0.144201D+01
      3   0.104281D+01 -0.943718D+00 -0.204276D+01  0.298361D+01 -0.128720D+01
               126 
      1   0.298361D+01
      2  -0.128720D+01
      3  -0.512108D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.182826D+01  0.297035D+00  0.965246D+00 -0.176913D+01  0.797765D+01
      2   0.130932D+01  0.596238D-01  0.102193D+01 -0.141374D+01  0.660356D+00
      3   0.146863D+01  0.218887D+01 -0.684232D+00  0.715674D+01 -0.897647D+01
                 6             7             8             9            10 
      1  -0.174027D+01  0.935932D-01  0.222577D+01 -0.580438D+01 -0.100211D+01
      2  -0.559216D+00 -0.307164D+01  0.760845D+00 -0.745488D+01  0.401889D+01
      3  -0.865306D+00 -0.238762D+01 -0.188901D+01 -0.385352D+00  0.178154D+01
                11            12            13            14            15 
      1   0.868245D+00 -0.727268D+00  0.100562D+01  0.148515D+00 -0.376160D+00
      2  -0.138941D+01  0.284063D+01  0.203744D+01 -0.221352D+01  0.121812D+01
      3  -0.519542D+01  0.688009D+00 -0.215869D+01  0.146154D+01  0.919446D+00
                16            17            18            19            20 
      1  -0.111055D+01  0.474393D+01  0.224669D-01  0.774234D+00  0.103431D+01
      2  -0.365028D+01  0.272916D+00  0.163488D+01 -0.591474D+01  0.372424D+00
      3  -0.406935D+00  0.116717D+01  0.698103D+00 -0.697867D+01  0.758553D+00
                21            22            23            24            25 
      1   0.276494D+00  0.167678D+01 -0.415326D+00  0.967821D+01 -0.333032D+00
      2  -0.540231D+01 -0.885458D+00  0.178318D+01 -0.174038D+01 -0.189892D+02
      3  -0.286200D+00  0.227679D-02  0.107555D+02 -0.175348D+01  0.297016D+01
                26            27            28            29            30 
      1   0.991252D+01  0.602052D+00 -0.103184D+01 -0.104116D+01  0.289197D+01
      2  -0.145532D+01  0.405803D+01  0.616202D+00  0.274465D+00  0.781969D+01
      3  -0.243707D+01  0.938996D+00 -0.531680D+01 -0.160753D+02  0.150236D+00
                31            32            33            34            35 
      1  -0.549469D+00 -0.920511D+00 -0.403765D+01  0.781090D+00  0.218978D+01
      2   0.101226D+01 -0.811911D-01 -0.891904D+00  0.558041D+01 -0.965572D+00
      3  -0.124915D+02 -0.111405D+02  0.343031D+00  0.958928D-01  0.224799D+01
                36            37            38            39            40 
      1  -0.670988D+00 -0.356014D+00 -0.202846D+00  0.348561D+00  0.170657D+01
      2  -0.275688D+01  0.215087D+01 -0.183378D+01  0.190404D+01 -0.193246D+01
      3   0.182314D+01 -0.704885D+01 -0.824538D+01  0.193363D+01  0.990116D+00
                41            42            43            44            45 
      1  -0.955831D+00 -0.246295D+01  0.217823D+01  0.120314D+01  0.105161D+01
      2   0.129974D+01  0.596512D+01 -0.792902D+01  0.397719D+01  0.133942D+02
      3  -0.560502D+01 -0.214337D+01  0.186519D+01 -0.282455D+01 -0.489282D+01
                46            47            48            49            50 
      1  -0.240314D+01 -0.118357D+01  0.567279D+01 -0.236719D+01 -0.411783D+01
      2  -0.213309D+00  0.183554D+01  0.364427D+01  0.879884D+00  0.798681D+00
      3  -0.516482D+01 -0.125980D+02  0.145363D+01  0.180534D+01 -0.249097D+01
                51            52            53            54            55 
      1  -0.257140D+01  0.636103D+01  0.801361D+01  0.796619D+01  0.185997D+00
      2  -0.927971D+00 -0.327329D+01 -0.880724D+00  0.316366D+00  0.250595D+00
      3   0.706500D+00  0.352164D+01  0.137799D+01 -0.540076D+01  0.139231D+00
                56            57            58            59            60 
      1  -0.221029D-01 -0.308470D+01  0.147966D-01  0.120509D+01 -0.114009D+02
      2   0.205648D+00  0.484977D+01 -0.174028D+01 -0.872980D+00  0.450385D+01
      3  -0.581027D+01 -0.311810D+00  0.104606D+02 -0.183775D+02  0.424962D+00
                61            62            63            64            65 
      1  -0.416352D+00  0.866280D+00  0.188308D+00  0.119595D+00 -0.953917D+00
      2   0.281020D+01  0.453580D+01 -0.108392D+01  0.219713D+00 -0.513618D-01
      3  -0.157307D+01  0.394943D+00 -0.460674D+01  0.189702D+00 -0.744828D+00
                66            67            68            69            70 
      1   0.218229D+00 -0.562371D+00 -0.591924D+00 -0.436201D+00  0.221305D+00
      2   0.112535D+01 -0.316420D+00  0.441956D+00 -0.708435D+00 -0.237203D+01
      3  -0.191350D+00  0.155723D+01 -0.373884D+00  0.189249D+00  0.201261D-01
                71            72            73            74            75 
      1   0.316227D+01  0.995259D+00  0.973008D+00 -0.550903D+00 -0.228908D+00
      2  -0.198335D+00 -0.145764D+01  0.124635D+01  0.224346D-01  0.418919D-01
      3   0.401827D+00  0.235517D+00 -0.134447D+00 -0.724915D+00 -0.816770D+00
                76            77            78            79            80 
      1  -0.255012D+00  0.372942D+00 -0.933209D-02  0.103247D+00  0.328567D+01
      2  -0.401559D+00  0.147399D+01  0.879921D+00 -0.395163D+01 -0.591318D+00
      3   0.435667D-01  0.540856D+00 -0.106276D+01 -0.113060D+01 -0.131657D+01
                81            82            83            84            85 
      1   0.683290D+01 -0.120924D+01 -0.718431D-02 -0.354055D+00 -0.666047D-01
      2   0.100542D+02 -0.162536D+00  0.342711D+00  0.542044D+00  0.380785D+00
      3   0.576194D+00  0.365741D+01  0.123151D+01  0.630628D+00  0.538390D+01
                86            87            88            89            90 
      1  -0.457996D+01 -0.402884D+01  0.110442D+00 -0.124311D+01 -0.649296D+00
      2   0.212402D+00 -0.896659D+00 -0.849483D+00 -0.104411D+01  0.143111D+00
      3   0.105460D+02  0.567072D+00  0.185976D+01  0.165668D+01  0.111702D+01
                91            92            93            94            95 
      1   0.103926D+01  0.737642D+00  0.103652D+01  0.763695D+00  0.121710D+01
      2  -0.629572D+00 -0.712928D+00 -0.147296D+01 -0.370840D+00 -0.845414D+00
      3   0.833934D+01  0.102593D+02 -0.293795D+00  0.136955D+02  0.176275D+02
                96            97            98            99           100 
      1  -0.120999D+01  0.959354D+00  0.105600D+01  0.139564D+00 -0.145874D+01
      2  -0.227572D+01 -0.204431D+01 -0.195227D+01  0.877779D-01 -0.600354D+00
      3   0.279854D+00 -0.828946D+00 -0.108155D+01 -0.323436D-01  0.683509D+00
               101           102           103           104           105 
      1  -0.864856D+00 -0.327538D+01 -0.809036D+00 -0.192203D+01 -0.250911D+01
      2   0.167142D+00  0.501217D+00 -0.852825D-02 -0.116558D+00  0.442831D+00
      3   0.109621D+01  0.975840D+00  0.205630D+01  0.539132D+00  0.900916D+00
               106           107           108           109           110 
      1  -0.457722D+01 -0.237592D+01 -0.129061D+02  0.252930D+01  0.228332D+01
      2  -0.229092D+01  0.687201D+00  0.779038D+00  0.933400D+00 -0.273175D+00
      3   0.404640D+01  0.153877D+00  0.364019D+01  0.719442D+01  0.326872D+01
               111           112           113           114           115 
      1  -0.395608D+01  0.219960D+01  0.206682D+01 -0.281758D+01 -0.339110D+01
      2   0.108264D+01  0.598400D-01  0.156574D+00  0.832646D+00 -0.935115D+00
      3  -0.239023D+01  0.712375D+01  0.348201D+01 -0.195096D+01 -0.626441D+01
               116           117           118           119           120 
      1  -0.209668D+01  0.322491D+01  0.114328D-01 -0.394019D+00  0.216599D+00
      2   0.412893D+00 -0.864206D+00 -0.414683D+01  0.115943D+01  0.626256D+01
      3  -0.246081D+01  0.276608D+01  0.111690D+01 -0.247404D+01 -0.103595D+01
               121           122           123           124           125 
      1  -0.662438D-01  0.336531D+00 -0.838554D+00 -0.907140D+00  0.212169D+01
      2   0.269907D+01 -0.269723D+01 -0.584220D+01  0.689889D+01 -0.363155D+01
      3  -0.155771D+01  0.208419D+01  0.252307D+01 -0.178758D+01  0.460909D+01
               126 
      1  -0.814093D+00
      2  -0.159283D+02
      3   0.352276D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.212616D+02  0.279909D+00 -0.203384D+01 -0.820601D+01  0.142452D+02
      2   0.974915D+01 -0.242563D+01 -0.187190D+01  0.328145D+01 -0.189533D+02
      3   0.115124D+02  0.214572D+01  0.390574D+01  0.492455D+01  0.470802D+01
      4  -0.138863D+01 -0.120634D+01 -0.173203D+00  0.855891D+01  0.706754D+01
      5   0.124702D+01 -0.473874D+00 -0.215756D+01 -0.130960D+01  0.219725D+01
      6  -0.407251D+01  0.418145D+01 -0.246768D+01  0.149433D+01 -0.417988D+01
                 6             7             8             9            10 
      1   0.110470D+01  0.640353D+01  0.133065D+01  0.149998D+02 -0.373273D+01
      2  -0.187088D+01 -0.350082D+01 -0.200353D+01  0.278233D+01  0.723086D+01
      3   0.766183D+00 -0.290271D+01  0.672879D+00 -0.177822D+02 -0.349813D+01
      4   0.232617D+01 -0.281115D+01  0.412085D+01 -0.154921D+01  0.274288D+00
      5  -0.163402D+01  0.471751D+01 -0.176189D+00 -0.164000D+02 -0.709893D-01
      6   0.190671D+01 -0.130573D+01  0.448033D+00  0.499463D+01  0.204750D+01
                11            12            13            14            15 
      1   0.154398D+01 -0.101447D+01  0.534216D+00  0.494489D+01  0.105181D+01
      2  -0.127226D+01 -0.372850D+00  0.189487D+00 -0.965039D+01 -0.678664D+00
      3  -0.271721D+00  0.138732D+01 -0.723703D+00  0.470549D+01 -0.373147D+00
      4   0.490253D+01  0.998935D+00 -0.756005D+01  0.198107D+01 -0.734817D+00
      5   0.720097D+00  0.130625D+01 -0.584350D+00 -0.342441D+00  0.196124D+01
      6  -0.261554D+01 -0.699122D-01 -0.275254D+01  0.300959D+00 -0.385250D+01
                16            17            18            19            20 
      1  -0.621672D+01  0.188324D+01  0.530356D+01 -0.474364D+01  0.120618D+02
      2   0.312894D+00 -0.410302D+01  0.117319D+02 -0.100461D+00 -0.123555D+02
      3   0.590383D+01  0.221979D+01 -0.170354D+02  0.484410D+01  0.293676D+00
      4  -0.133022D+01 -0.924684D+00  0.129218D+01  0.496148D+01 -0.135793D+02
      5  -0.249830D+01 -0.197089D+00  0.951698D+01  0.123760D+00 -0.197177D+01
      6   0.571855D+00  0.114019D+01  0.100439D+01 -0.859399D+00  0.972502D-01
                21            22            23            24            25 
      1  -0.110221D+01  0.193908D+01  0.490379D+01 -0.492456D-01  0.200874D+00
      2  -0.258313D+01 -0.539631D+01 -0.169047D+02  0.108885D+01 -0.884770D+00
      3   0.368533D+01  0.345724D+01  0.120009D+02 -0.103961D+01  0.683896D+00
      4  -0.151524D+01 -0.252169D+02 -0.236455D+02  0.778815D-01 -0.256814D+00
      5  -0.727709D+01 -0.259520D+01 -0.122622D+01 -0.196086D+01  0.264410D+01
      6   0.159390D+01 -0.106169D+01 -0.199320D+01 -0.147106D+02 -0.444419D+00
                26            27            28            29            30 
      1  -0.312667D+01 -0.535256D+01  0.431757D+02 -0.896813D+01 -0.105456D+01
      2   0.166087D+01 -0.665183D+01 -0.266068D+02  0.291348D+01  0.203380D+01
      3   0.146580D+01  0.120044D+02 -0.165689D+02  0.605464D+01 -0.979236D+00
      4   0.323494D+01 -0.223201D+01 -0.209655D+02  0.181563D+02  0.161633D+01
      5  -0.164055D+01  0.356028D+01 -0.252848D+01  0.715226D+00  0.147500D+02
      6   0.404458D+01 -0.371619D+00  0.101784D+01 -0.397802D+00 -0.495563D+01
                31            32            33            34            35 
      1   0.545926D+01  0.109774D+02 -0.104332D+01 -0.542111D+00  0.897737D+00
      2  -0.728950D+01 -0.439765D+01  0.236398D+00  0.149060D+01 -0.963508D-01
      3   0.183024D+01 -0.657971D+01  0.806925D+00 -0.948492D+00 -0.801386D+00
      4   0.171882D+02 -0.445456D+01 -0.154766D+01  0.149126D+01 -0.195369D+01
      5  -0.543251D+00 -0.147208D+01 -0.342540D+01  0.139518D+02 -0.562945D+01
      6  -0.756812D+00  0.123434D+01  0.840713D+01 -0.205746D+01  0.530674D+01
                36            37            38            39            40 
      1   0.544490D+01  0.484612D+02  0.373493D+01  0.735080D+01  0.162185D+02
      2  -0.800709D+01 -0.249663D+02 -0.216125D+01 -0.341853D+01 -0.987300D+01
      3   0.256219D+01 -0.234949D+02 -0.157368D+01 -0.393227D+01 -0.634550D+01
      4  -0.543386D+01  0.581984D+00  0.116704D+02 -0.430195D+01  0.619340D+01
      5  -0.505035D+01  0.782710D+01 -0.310585D+01  0.289288D+01 -0.437331D+01
      6   0.137024D+01 -0.166744D+01 -0.584177D+00  0.151942D+01  0.192111D+01
                41            42            43            44            45 
      1   0.161365D+01 -0.289724D+01  0.994063D+01 -0.200906D+01 -0.513731D+01
      2   0.378855D+01  0.219065D+01 -0.793953D+01  0.154017D+01  0.178254D+01
      3  -0.540220D+01  0.706584D+00 -0.200111D+01  0.468885D+00  0.335477D+01
      4   0.609159D+01  0.336185D+01 -0.556086D+01  0.467985D+01  0.841585D+01
      5   0.349959D+01  0.101172D+02 -0.218172D+01  0.789466D+01  0.232434D+02
      6  -0.156646D+01  0.931415D+00  0.226592D+01  0.187592D+01 -0.547422D+01
                46            47            48            49            50 
      1   0.143450D+02  0.191884D+01  0.123599D+01  0.244725D+01 -0.174886D+02
      2  -0.139469D+02 -0.584030D+01  0.215861D+01 -0.659663D+01  0.274419D+02
      3  -0.398071D+00  0.392145D+01 -0.339459D+01  0.414938D+01 -0.995334D+01
      4  -0.820276D+01 -0.794824D+01  0.324833D+01 -0.776557D+00 -0.750097D+01
      5   0.200607D+01  0.188566D+01 -0.452250D-01  0.133779D+01  0.948042D+00
      6   0.504210D+01  0.367734D+01 -0.982258D+01  0.380841D+01  0.499321D+01
                51            52            53            54            55 
      1  -0.487457D+00 -0.113486D+01  0.197647D+00  0.107859D+01  0.104329D+02
      2   0.385538D+01  0.383624D+01  0.478584D+01 -0.114659D+01 -0.122836D+01
      3  -0.336793D+01 -0.270137D+01 -0.498349D+01  0.679954D-01 -0.920458D+01
      4   0.167921D+01  0.441320D+01  0.223016D+01 -0.102295D+02  0.177277D+02
      5  -0.258355D+01  0.686707D+00 -0.428493D+01 -0.382421D+01  0.141054D+01
      6   0.189627D+01 -0.113200D+02 -0.285637D+01 -0.121677D+02  0.809587D+00
                56            57            58            59            60 
      1   0.481608D+01 -0.179187D+00  0.742368D+01 -0.212866D+02 -0.696983D+00
      2   0.374026D+01  0.552418D+00  0.400140D+01  0.424837D+02 -0.355715D-01
      3  -0.855634D+01 -0.373231D+00 -0.114251D+02 -0.211971D+02  0.732555D+00
      4   0.225984D+02  0.900924D+00  0.272179D+02  0.474566D+02  0.120415D+01
      5   0.143484D+01  0.750411D+01  0.158004D+01  0.253299D+01  0.940517D+01
      6   0.867612D+00  0.414736D+01  0.151705D+01  0.183514D+01  0.179267D+02
                61            62            63            64            65 
      1   0.784252D+00 -0.176311D-01 -0.357415D+01  0.110665D+01 -0.177005D-01
      2   0.377883D+00 -0.532741D+00  0.279904D+01 -0.406518D+01 -0.746569D-01
      3  -0.116213D+01  0.550372D+00  0.775109D+00  0.295853D+01  0.923574D-01
      4   0.112035D+00 -0.428298D+00  0.111641D+02 -0.264905D+00  0.150269D+01
      5   0.907552D+01  0.113700D+02  0.191970D+00 -0.227642D+01 -0.687540D-01
      6   0.413452D+01  0.139775D+02  0.509514D+00 -0.300144D+00  0.524334D+00
                66            67            68            69            70 
      1  -0.378155D+00 -0.231051D+00 -0.398682D+01 -0.657366D+00  0.145230D+01
      2   0.193465D+01  0.123203D+01  0.578726D+00 -0.110970D+01  0.279045D+01
      3  -0.155650D+01 -0.100098D+01  0.340810D+01  0.176706D+01 -0.424274D+01
      4  -0.374306D+00  0.308112D+01 -0.455194D+00 -0.619538D+00  0.823508D+00
      5   0.731654D+01  0.748838D+00 -0.868208D+00 -0.137125D+01  0.594170D+01
      6   0.326348D+00 -0.300775D+00  0.829009D+00  0.694982D+01 -0.171467D+00
                71            72            73            74            75 
      1   0.801044D+00 -0.171650D+02  0.118343D+01  0.511679D+00  0.406592D+01
      2  -0.939045D+00 -0.166717D+02 -0.359672D+01 -0.250648D+00 -0.602146D+00
      3   0.138001D+00  0.338367D+02  0.241329D+01 -0.261030D+00 -0.346378D+01
      4  -0.385038D+00 -0.844147D+00  0.440390D+00  0.659943D+00 -0.117042D+01
      5  -0.308974D-01 -0.757664D+01  0.142751D+01 -0.234936D+00  0.509064D+01
      6   0.439429D+01 -0.194398D+01 -0.718552D+00 -0.865267D+00  0.545607D+00
                76            77            78            79            80 
      1   0.206356D+01 -0.445868D+01 -0.643216D-01  0.536700D+01  0.162590D+01
      2  -0.146804D+01  0.204816D+01 -0.124006D+01 -0.270275D+01 -0.636948D+00
      3  -0.595527D+00  0.241052D+01  0.130439D+01 -0.266425D+01 -0.988953D+00
      4   0.308861D+00 -0.459268D+00  0.257416D+01 -0.209053D+01  0.269230D+01
      5  -0.269654D+00  0.232096D+01  0.196277D+01  0.470173D+01 -0.155227D+01
      6   0.228051D+00 -0.508893D+00  0.516799D+01 -0.158790D+00  0.580990D+01
                81            82            83            84            85 
      1  -0.196161D+02 -0.641450D+00 -0.416580D+01 -0.767820D+00 -0.515014D+01
      2  -0.121055D+02  0.322384D+01  0.307382D+01  0.693732D+00  0.317001D+01
      3   0.317216D+02 -0.258239D+01  0.109198D+01  0.740877D-01  0.198013D+01
      4  -0.710976D-01 -0.124897D+01  0.415993D+01  0.502651D+00  0.514979D+01
      5   0.193163D+02 -0.541177D+00 -0.989276D-01  0.861282D+00 -0.190124D+00
      6  -0.100378D+02  0.669468D+00 -0.313535D+00  0.565891D+00  0.144395D+00
                86            87            88            89            90 
      1  -0.193194D+02 -0.282330D+00 -0.260341D+01 -0.257808D+01 -0.475708D+01
      2   0.324413D+02  0.205816D+01  0.163605D+01  0.410151D+01  0.265374D+01
      3  -0.131219D+02 -0.177583D+01  0.967365D+00 -0.152343D+01  0.210334D+01
      4  -0.180759D+02 -0.810200D+00  0.720699D+00 -0.325047D+01 -0.195586D+01
      5  -0.707565D+00 -0.212261D+01  0.672935D+00 -0.251687D+01  0.210690D+00
      6   0.446745D-01  0.519910D+01  0.257520D+00  0.606837D+01  0.134044D+01
                91            92            93            94            95 
      1  -0.118372D+02 -0.262415D+01  0.167505D+00 -0.141249D+02 -0.681337D+01
      2   0.104972D+02 -0.227514D+00 -0.173834D+00  0.773114D+01  0.112294D+02
      3   0.134002D+01  0.285166D+01  0.632889D-02  0.639374D+01 -0.441602D+01
      4  -0.142130D+01  0.428994D+00 -0.512263D+00  0.838797D+01 -0.172088D+02
      5   0.983528D+00  0.301447D+00 -0.176578D+01  0.119618D+01  0.164278D+00
      6  -0.564473D+00 -0.170598D+00 -0.214831D+01 -0.313602D+00  0.472443D+00
                96            97            98            99           100 
      1   0.346612D+00  0.125063D+01  0.233089D-01 -0.104239D+01 -0.768886D+00
      2  -0.288607D+00 -0.872883D+00 -0.157418D+00  0.251964D+00  0.112744D+01
      3  -0.580048D-01 -0.377742D+00  0.134109D+00  0.790426D+00 -0.358549D+00
      4  -0.701083D+00 -0.363924D+00  0.519747D-01 -0.274000D+01  0.235759D+01
      5  -0.406663D+01  0.267608D+01 -0.254025D+01  0.137733D-01  0.251831D+01
      6   0.173973D+01 -0.161587D+01  0.294537D+01  0.128393D+00  0.270333D+01
               101           102           103           104           105 
      1  -0.116486D+01 -0.812538D+00  0.183915D-02 -0.361093D+01 -0.183330D+01
      2   0.220818D+01  0.578871D+00  0.706728D+00  0.448636D+01  0.245690D+01
      3  -0.104333D+01  0.233667D+00 -0.708567D+00 -0.875428D+00 -0.623598D+00
      4   0.493255D+01  0.303021D+01  0.439128D+01  0.296492D+01  0.279522D+01
      5   0.171014D+01  0.417124D+01  0.853567D+00  0.182509D+01  0.159458D+01
      6   0.325108D+01  0.561918D+01  0.289694D+01  0.354763D+01  0.668973D+01
               106           107           108           109           110 
      1  -0.142128D+00 -0.604808D+01 -0.853641D+01  0.198200D+00 -0.409362D+01
      2  -0.100088D+01  0.497608D+01 -0.204974D+01  0.598440D+01  0.107019D+02
      3   0.114301D+01  0.107200D+01  0.105862D+02 -0.618260D+01 -0.660827D+01
      4   0.565379D+01  0.541925D+01  0.668304D+01  0.129642D+02  0.148935D+02
      5   0.428870D+01  0.344837D+01  0.793461D+01 -0.413762D+01 -0.348598D+01
      6   0.705208D+01  0.989804D+01  0.221298D+02 -0.680532D+01 -0.689261D+01
               111           112           113           114           115 
      1   0.386556D+00 -0.245308D+01 -0.648812D+01  0.168531D+01  0.187187D+01
      2  -0.305334D+01  0.790802D+01  0.144043D+02 -0.435192D+01 -0.366897D+01
      3   0.266678D+01 -0.545494D+01 -0.791623D+01  0.266661D+01  0.179710D+01
      4  -0.574447D+01  0.133035D+02  0.119319D+02 -0.474964D+01 -0.864765D+01
      5   0.456371D+01 -0.175292D+01 -0.308122D+01  0.185102D+01  0.453621D+01
      6   0.695786D+01 -0.571541D+01 -0.724456D+01  0.622444D+01  0.755948D+01
               116           117           118           119           120 
      1   0.417772D+01 -0.334843D+01  0.149281D+02 -0.363892D+01 -0.832315D+01
      2  -0.662826D+01  0.276041D+01 -0.872497D+01  0.187310D+01  0.535323D+01
      3   0.245054D+01  0.588022D+00 -0.620315D+01  0.176582D+01  0.296992D+01
      4  -0.760984D+01  0.686442D+01 -0.566994D+01  0.495743D+01  0.385152D+01
      5   0.387629D+01 -0.400014D+01 -0.983351D+01  0.302972D+01  0.123107D+02
      6   0.944846D+01 -0.797952D+01  0.269802D+01 -0.759543D+00 -0.181145D+01
               121           122           123           124           125 
      1  -0.601927D+01  0.268163D+01  0.358511D+01 -0.154023D+02  0.260425D+01
      2   0.259731D+01 -0.824701D+00 -0.183490D+01  0.113561D+02 -0.220518D+01
      3   0.342196D+01 -0.185693D+01 -0.175021D+01  0.404620D+01 -0.399078D+00
      4   0.790680D+01 -0.554789D+01 -0.670007D+01  0.784666D+01 -0.787731D+01
      5   0.590200D+01 -0.579046D+01 -0.972768D+01  0.189213D+02 -0.787521D+01
      6  -0.295383D+01  0.259263D+01  0.504575D+01 -0.462205D+01  0.362784D+01
               126 
      1   0.868806D+01
      2  -0.111440D+02
      3   0.245591D+01
      4  -0.936383D+01
      5  -0.289810D+02
      6   0.685447D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:45:10 2021, MaxMem=  5368709120 cpu:            4268.1 elap:             534.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19154 -19.17370 -19.13842 -14.35825 -10.32030
 Alpha  occ. eigenvalues --  -10.25281 -10.24962  -1.11309  -1.05167  -1.03258
 Alpha  occ. eigenvalues --   -0.92892  -0.76518  -0.67156  -0.60869  -0.56171
 Alpha  occ. eigenvalues --   -0.53999  -0.51598  -0.48686  -0.46964  -0.44750
 Alpha  occ. eigenvalues --   -0.44310  -0.41333  -0.38651  -0.35911  -0.32561
 Alpha  occ. eigenvalues --   -0.31889  -0.30712  -0.26996
 Alpha virt. eigenvalues --   -0.03298  -0.01050  -0.00568   0.00413   0.01090
 Alpha virt. eigenvalues --    0.02945   0.03412   0.03988   0.06027   0.06334
 Alpha virt. eigenvalues --    0.06977   0.07241   0.08760   0.09274   0.09922
 Alpha virt. eigenvalues --    0.10285   0.10585   0.11211   0.11801   0.12279
 Alpha virt. eigenvalues --    0.13006   0.13433   0.14023   0.14380   0.16290
 Alpha virt. eigenvalues --    0.18281   0.18460   0.19178   0.19858   0.20510
 Alpha virt. eigenvalues --    0.21021   0.22323   0.22759   0.23506   0.23996
 Alpha virt. eigenvalues --    0.24630   0.25114   0.25237   0.25700   0.27680
 Alpha virt. eigenvalues --    0.28089   0.29713   0.30247   0.30829   0.31941
 Alpha virt. eigenvalues --    0.33094   0.33879   0.34611   0.35069   0.35610
 Alpha virt. eigenvalues --    0.37423   0.38834   0.39307   0.40003   0.41170
 Alpha virt. eigenvalues --    0.42467   0.44118   0.44928   0.45808   0.46681
 Alpha virt. eigenvalues --    0.47557   0.47862   0.49360   0.50170   0.52140
 Alpha virt. eigenvalues --    0.52616   0.54448   0.54921   0.56423   0.57315
 Alpha virt. eigenvalues --    0.58494   0.59584   0.60251   0.62060   0.62387
 Alpha virt. eigenvalues --    0.64396   0.65118   0.66111   0.68431   0.69446
 Alpha virt. eigenvalues --    0.71073   0.71292   0.72351   0.73194   0.77207
 Alpha virt. eigenvalues --    0.78201   0.78664   0.80596   0.82014   0.84207
 Alpha virt. eigenvalues --    0.85460   0.86855   0.89147   0.90424   0.92036
 Alpha virt. eigenvalues --    0.94288   0.96493   0.98769   0.99251   1.02093
 Alpha virt. eigenvalues --    1.04689   1.05642   1.06280   1.06990   1.08144
 Alpha virt. eigenvalues --    1.09040   1.11137   1.13573   1.15433   1.17946
 Alpha virt. eigenvalues --    1.20548   1.23884   1.25053   1.26139   1.28415
 Alpha virt. eigenvalues --    1.30944   1.34557   1.35711   1.38306   1.43221
 Alpha virt. eigenvalues --    1.44116   1.47641   1.50177   1.52814   1.54345
 Alpha virt. eigenvalues --    1.55580   1.57544   1.58972   1.61241   1.65661
 Alpha virt. eigenvalues --    1.66329   1.69607   1.71922   1.73829   1.76523
 Alpha virt. eigenvalues --    1.79158   1.80832   1.83005   1.85592   1.88240
 Alpha virt. eigenvalues --    1.88710   1.89881   1.92338   1.95955   1.99478
 Alpha virt. eigenvalues --    2.01157   2.02569   2.05876   2.07393   2.12406
 Alpha virt. eigenvalues --    2.13342   2.14247   2.15942   2.18072   2.20023
 Alpha virt. eigenvalues --    2.21873   2.25051   2.27716   2.28960   2.31379
 Alpha virt. eigenvalues --    2.36195   2.40861   2.41849   2.48629   2.50953
 Alpha virt. eigenvalues --    2.54208   2.57995   2.61096   2.62704   2.66851
 Alpha virt. eigenvalues --    2.67718   2.75326   2.79356   2.82967   2.90118
 Alpha virt. eigenvalues --    2.99391   3.01264   3.11197   3.19052   3.27737
 Alpha virt. eigenvalues --    3.32791   3.35209   3.36694   3.38876   3.39210
 Alpha virt. eigenvalues --    3.42383   3.43206   3.45105   3.46481   3.47907
 Alpha virt. eigenvalues --    3.56370   3.58170   3.70380   3.79168   3.91082
 Alpha virt. eigenvalues --    3.95654
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.559648   0.356875  -0.165872  -0.014500   0.031431  -0.102570
     2  C    0.356875   6.122729  -0.764064   0.218610   0.143161   0.075669
     3  C   -0.165872  -0.764064   6.449780  -0.230120  -0.035635   0.005877
     4  O   -0.014500   0.218610  -0.230120   8.338205  -0.000132  -0.075967
     5  O    0.031431   0.143161  -0.035635  -0.000132   8.281089  -0.019253
     6  N   -0.102570   0.075669   0.005877  -0.075967  -0.019253   6.676098
     7  O    0.022817  -0.022435   0.258788  -0.082328  -0.002709  -0.010677
     8  H   -0.036446  -0.218837  -0.110982   0.014399  -0.028275  -0.065170
     9  H    0.123549  -0.227144   0.045971  -0.008131  -0.223867  -0.114004
    10  H   -0.230232   0.323441  -0.154769   0.008019   0.028757   0.023593
    11  H    0.004773  -0.145043  -0.005074   0.235726  -0.001590   0.069701
    12  H   -0.091646  -0.146450   0.054210  -0.003722  -0.001366   0.416220
    13  H    0.019195   0.067733  -0.031544   0.004735   0.000547   0.269678
    14  H    0.035278  -0.052603   0.005564  -0.000119   0.265437  -0.005059
               7          8          9         10         11         12
     1  C    0.022817  -0.036446   0.123549  -0.230232   0.004773  -0.091646
     2  C   -0.022435  -0.218837  -0.227144   0.323441  -0.145043  -0.146450
     3  C    0.258788  -0.110982   0.045971  -0.154769  -0.005074   0.054210
     4  O   -0.082328   0.014399  -0.008131   0.008019   0.235726  -0.003722
     5  O   -0.002709  -0.028275  -0.223867   0.028757  -0.001590  -0.001366
     6  N   -0.010677  -0.065170  -0.114004   0.023593   0.069701   0.416220
     7  O    8.333543   0.019047   0.018131  -0.017122   0.014037   0.000653
     8  H    0.019047   1.786464   0.129317  -0.093194  -0.007282   0.032560
     9  H    0.018131   0.129317   2.090773  -0.468011  -0.002070   0.010352
    10  H   -0.017122  -0.093194  -0.468011   2.063318   0.000716   0.011233
    11  H    0.014037  -0.007282  -0.002070   0.000716   0.663265  -0.005067
    12  H    0.000653   0.032560   0.010352   0.011233  -0.005067   0.880567
    13  H    0.001487  -0.094684  -0.009304  -0.003862  -0.000116  -0.136839
    14  H    0.000795   0.006918   0.059431  -0.117725  -0.000416  -0.001906
              13         14
     1  C    0.019195   0.035278
     2  C    0.067733  -0.052603
     3  C   -0.031544   0.005564
     4  O    0.004735  -0.000119
     5  O    0.000547   0.265437
     6  N    0.269678  -0.005059
     7  O    0.001487   0.000795
     8  H   -0.094684   0.006918
     9  H   -0.009304   0.059431
    10  H   -0.003862  -0.117725
    11  H   -0.000116  -0.000416
    12  H   -0.136839  -0.001906
    13  H    0.919289   0.003461
    14  H    0.003461   0.731314
 Mulliken charges:
               1
     1  C    1.487701
     2  C    0.268359
     3  C    0.677872
     4  O   -0.404676
     5  O   -0.437595
     6  N   -0.144136
     7  O   -0.534027
     8  H   -0.333833
     9  H   -0.424993
    10  H   -0.374162
    11  H    0.178439
    12  H   -0.018801
    13  H   -0.009777
    14  H    0.069629
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.688546
     2  C   -0.065474
     3  C    0.677872
     4  O   -0.226237
     5  O   -0.367966
     6  N   -0.172713
     7  O   -0.534027
 Electronic spatial extent (au):  <R**2>=            830.1044
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.2510    Y=              2.3798    Z=             -1.0847  Tot=              4.1724
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.5863   YY=            -42.9578   ZZ=            -37.8668
   XY=             -4.5406   XZ=             -3.2514   YZ=              1.0383
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.4493   YY=              1.1792   ZZ=              6.2701
   XY=             -4.5406   XZ=             -3.2514   YZ=              1.0383
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.8374  YYY=             12.7489  ZZZ=             -0.6698  XYY=             12.0676
  XXY=              1.9657  XXZ=            -13.4992  XZZ=              5.2344  YZZ=              1.5495
  YYZ=              0.2776  XYZ=              2.5069
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -709.0989 YYYY=           -293.9045 ZZZZ=            -65.6100 XXXY=            -22.1332
 XXXZ=            -37.3700 YYYX=             -8.3281 YYYZ=              1.7163 ZZZX=             -3.9755
 ZZZY=              3.2343 XXYY=           -153.6148 XXZZ=           -108.1132 YYZZ=            -55.9406
 XXYZ=              7.6728 YYXZ=             -5.2641 ZZXY=              0.0436
 N-N= 3.218362721076D+02 E-N=-1.579087541046D+03  KE= 3.967164229373D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:45:11 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.30988813D+00 9.57809582D-01-4.46868773D-01
 Polarizability= 6.00135689D+01 2.98582690D-01 5.90339544D+01
                -1.92291414D+00 6.21864480D-01 4.44474993D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9220    0.9222        0.0729    0.0728
 2     -0.9220   -0.9222       -0.1788   -0.1785       -1.0024   -1.0027
 3     -0.0729   -0.0728        9.3066    9.3063        0.1784    0.1785
 4      0.1788    0.1785        0.0000    0.0000       -0.0724   -0.0728
 5     -8.3042   -8.3036        0.0724    0.0728        0.9218    0.9222
 6     -0.1784   -0.1785       -0.9218   -0.9222       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.7666   -2.7666        0.2184    0.2184
 2      0.5356    0.5356        0.0000    0.0000        0.2184    0.2184
 3      0.5356    0.5356       -2.7666   -2.7666        0.0000    0.0000
 4     -2.7666   -2.7666       -0.5356   -0.5356       -3.0082   -3.0082
 5     -0.2184   -0.2184       27.9188   27.9188        0.5356    0.5356
 6    -24.9107  -24.9107        0.2184    0.2184        2.7666    2.7666
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0044    0.0000       -3.6968   -3.6887       -0.2055   -0.2912
 2      3.7146    3.6887        0.7295    0.7141        4.0949    4.0109
 3      0.3085    0.2912      -37.2448  -37.2251       -0.7097   -0.7141
 4     -0.7122   -0.7141       -0.0109    0.0000        0.2559    0.2912
 5     33.2043   33.2142       -0.2853   -0.2912       -3.6722   -3.6887
 6      0.7008    0.7141        3.6751    3.6887       -0.0026    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0082    0.0000        4.0716    4.0686        1.9238    1.9079
 2     -4.1232   -4.0686       19.9742   19.8964        0.7996    0.8178
 3     -1.9127   -1.9079        3.8921    3.9559      -19.8716  -19.8964
 4    -19.8687  -19.8964       -0.0310    0.0000       -1.9165   -1.9079
 5     -4.6733   -4.7737        1.9274    1.9079        4.0666    4.0686
 6     19.8780   19.8964       -4.0700   -4.0686       -0.0188    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -14.2001  -14.2084        1.8612    1.8701       -3.1391   -3.1446
 2    -40.8213  -40.8472        3.1079    3.1200       -3.1341   -3.1446
 3    -40.8212  -40.8472        1.8640    1.8701       -3.6387   -3.6460
 4     -1.2832   -1.2499       26.7003   26.6387       -4.4600   -4.4361
 5     -0.5142   -0.5013       10.6850   10.7159      -26.6868  -26.6387
 6     -6.1449   -6.2797        0.5237    0.5013        1.3408    1.2499
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7858   -0.9958    0.0009    0.0010    0.0013    4.8879
 Low frequencies ---   48.6828  113.1570  198.8616
 Diagonal vibrational polarizability:
       51.1625215      74.6268119      46.7365880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     48.6825               113.1569               198.8616
 Red. masses --      3.7194                 2.8194                 5.4418
 Frc consts  --      0.0052                 0.0213                 0.1268
 IR Inten    --      2.8391                10.3696                31.8820
 RamAct Fr= 1--      0.4798                 0.2471                 0.2967
  Dep-P Fr= 1--      0.7428                 0.7433                 0.6987
  Dep-U Fr= 1--      0.8524                 0.8528                 0.8226
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0682                 0.0351                 0.0407
 AlphaG Fr= 1--     -0.0007                -0.0002                 0.0006
 Gamma2 Fr= 1--      0.2368                 0.3346                 0.0416
 Delta2 Fr= 1--      0.1434                 0.1207                -0.0895
 Raman1 Fr= 1--       1.919                  0.988                  1.187
 ROA1   Fr= 1--      27.322                 35.985                  1.129
 CID1   Fr= 1--      14.236                 36.408                  0.951
 Raman2 Fr= 1--       0.818                  0.421                  0.488
 ROA2   Fr= 1--       4.535                  7.064                  1.714
 CID2   Fr= 1--       5.544                 16.762                  3.510
 Raman3 Fr= 1--       1.636                  0.843                  0.976
 ROA3   Fr= 1--      27.322                 35.985                  1.129
 CID3   Fr= 1--      16.700                 42.693                  1.157
 RC180  Fr= 1--       0.705                  0.706                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.08    -0.01  -0.11  -0.18    -0.15  -0.02  -0.16
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.10    -0.01   0.18  -0.13
     3   6    -0.00  -0.01  -0.02    -0.02  -0.00   0.00     0.07   0.05  -0.02
     4   8     0.06  -0.02   0.28     0.03   0.04   0.04    -0.06  -0.09   0.03
     5   8    -0.01  -0.01   0.12    -0.02   0.16   0.17    -0.01  -0.26   0.15
     6   7     0.00   0.01  -0.19     0.06  -0.08  -0.04    -0.07   0.16  -0.02
     7   8    -0.03  -0.01  -0.21    -0.06   0.01   0.08     0.27   0.01   0.12
     8   1     0.03  -0.15  -0.05    -0.09  -0.01  -0.11    -0.05   0.27  -0.14
     9   1    -0.09   0.17   0.06    -0.19  -0.43  -0.17    -0.29  -0.19  -0.16
    10   1    -0.04   0.02   0.18     0.18  -0.06  -0.49    -0.31   0.05  -0.34
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.20  -0.01   0.03
    12   1     0.37   0.12  -0.32     0.06  -0.14  -0.03     0.05   0.11  -0.05
    13   1    -0.31   0.07  -0.49     0.12  -0.11   0.00    -0.21   0.28  -0.07
    14   1    -0.01  -0.00   0.11     0.16   0.48   0.07    -0.10   0.13  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.1242               258.9252               320.1362
 Red. masses --      1.1289                 1.1841                 4.5336
 Frc consts  --      0.0314                 0.0468                 0.2738
 IR Inten    --     99.8694                28.8532                 9.6779
 RamAct Fr= 1--      1.1767                 0.1532                 0.4526
  Dep-P Fr= 1--      0.6715                 0.3940                 0.4103
  Dep-U Fr= 1--      0.8035                 0.5652                 0.5818
 Alpha2 Fr= 1--      0.0016                 0.0012                 0.0032
 Beta2  Fr= 1--      0.1576                 0.0144                 0.0439
 AlphaG Fr= 1--     -0.0038                 0.0066                -0.0035
 Gamma2 Fr= 1--     -0.6703                 0.1363                 0.0640
 Delta2 Fr= 1--      0.0851                 0.1071                 0.0117
 Raman1 Fr= 1--       4.707                  0.613                  1.810
 ROA1   Fr= 1--     -61.631                 16.513                  6.516
 CID1   Fr= 1--     -13.094                 26.950                  3.600
 Raman2 Fr= 1--       1.891                  0.173                  0.527
 ROA2   Fr= 1--     -16.769                  2.415                  1.442
 CID2   Fr= 1--      -8.868                 13.946                  2.739
 Raman3 Fr= 1--       3.782                  0.346                  1.053
 ROA3   Fr= 1--     -61.631                 16.513                  6.516
 CID3   Fr= 1--     -16.297                 47.679                  6.187
 RC180  Fr= 1--       0.607                  0.130                  0.164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.00   0.02     0.00  -0.00  -0.03    -0.12  -0.04   0.08
     2   6     0.01  -0.01   0.04    -0.01   0.00   0.01    -0.03   0.01   0.08
     3   6    -0.01  -0.01   0.01    -0.01  -0.01   0.01     0.01   0.04   0.02
     4   8    -0.00   0.01  -0.05    -0.00   0.01  -0.06    -0.14  -0.08  -0.02
     5   8     0.03  -0.03   0.01    -0.00   0.03  -0.01    -0.22   0.10  -0.06
     6   7    -0.00  -0.00   0.02     0.00  -0.01   0.08     0.33  -0.01  -0.02
     7   8    -0.03  -0.01   0.00    -0.01  -0.01   0.03     0.17   0.01  -0.04
     8   1    -0.01  -0.03   0.04    -0.02   0.03   0.00    -0.03  -0.09   0.08
     9   1     0.09   0.02   0.02    -0.02  -0.06  -0.03    -0.07  -0.03   0.08
    10   1     0.01  -0.01   0.04     0.01   0.01  -0.07    -0.08  -0.05   0.09
    11   1     0.05  -0.01   0.04     0.08  -0.02   0.14    -0.31  -0.01   0.07
    12   1     0.27   0.03  -0.07     0.58  -0.00  -0.12     0.53  -0.03  -0.08
    13   1    -0.24   0.08  -0.18    -0.49   0.17  -0.33     0.40  -0.24  -0.14
    14   1    -0.35   0.68  -0.45     0.21  -0.34   0.24    -0.26   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    366.3795               433.7003               528.3462
 Red. masses --      4.2161                 2.9260                 5.9745
 Frc consts  --      0.3334                 0.3243                 0.9826
 IR Inten    --      3.0786                 5.9329                 0.9175
 RamAct Fr= 1--      3.9744                 0.7762                 3.2434
  Dep-P Fr= 1--      0.1592                 0.3353                 0.7335
  Dep-U Fr= 1--      0.2747                 0.5022                 0.8463
 Alpha2 Fr= 1--      0.0600                 0.0071                 0.0009
 Beta2  Fr= 1--      0.1819                 0.0650                 0.4575
 AlphaG Fr= 1--      0.0093                -0.0055                -0.0065
 Gamma2 Fr= 1--     -0.1458                -0.2486                 0.1697
 Delta2 Fr= 1--     -0.0601                -0.0777                -0.0271
 Raman1 Fr= 1--      15.898                  3.105                 12.974
 ROA1   Fr= 1--     -15.926                -26.354                 15.422
 CID1   Fr= 1--      -1.002                 -8.488                  1.189
 Raman2 Fr= 1--       2.183                  0.780                  5.489
 ROA2   Fr= 1--      -3.019                 -5.346                  4.288
 CID2   Fr= 1--      -1.383                 -6.857                  0.781
 Raman3 Fr= 1--       4.366                  1.559                 10.979
 ROA3   Fr= 1--     -15.926                -26.354                 15.422
 CID3   Fr= 1--      -3.647                -16.902                  1.405
 RC180  Fr= 1--      -0.451                  0.004                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16   0.04   0.06    -0.00  -0.17   0.02    -0.09   0.09  -0.06
     2   6     0.00  -0.05  -0.13    -0.00  -0.03   0.21     0.03   0.17   0.09
     3   6     0.08  -0.03  -0.11     0.05   0.03   0.10     0.04  -0.21   0.04
     4   8     0.26   0.08  -0.00     0.08   0.07  -0.03     0.20  -0.13  -0.05
     5   8    -0.22   0.05  -0.04    -0.10   0.03  -0.04    -0.07  -0.01   0.00
     6   7    -0.07  -0.09   0.10    -0.13   0.05  -0.09     0.15   0.28  -0.01
     7   8     0.10  -0.04   0.06     0.10   0.01  -0.07    -0.26  -0.17   0.02
     8   1     0.16   0.03  -0.12    -0.01  -0.12   0.21     0.00   0.24   0.08
     9   1    -0.20   0.30   0.04     0.09  -0.57   0.06    -0.09  -0.15  -0.04
    10   1    -0.15  -0.02   0.30    -0.01  -0.07  -0.36    -0.23   0.16  -0.28
    11   1     0.46  -0.01  -0.01     0.17   0.03  -0.10     0.22  -0.15  -0.14
    12   1    -0.02  -0.28   0.11    -0.23   0.38  -0.10     0.03   0.39   0.02
    13   1    -0.15   0.09   0.17    -0.17  -0.02  -0.19     0.36   0.02  -0.00
    14   1    -0.32   0.09  -0.09    -0.01  -0.05   0.03    -0.06  -0.03   0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    619.7246               734.6493               857.5215
 Red. masses --      3.5959                 7.0976                 1.3971
 Frc consts  --      0.8137                 2.2570                 0.6053
 IR Inten    --      5.5552                10.9788                77.2896
 RamAct Fr= 1--      0.9886                 5.4014                 1.0220
  Dep-P Fr= 1--      0.3023                 0.0674                 0.2192
  Dep-U Fr= 1--      0.4642                 0.1263                 0.3596
 Alpha2 Fr= 1--      0.0101                 0.1023                 0.0132
 Beta2  Fr= 1--      0.0765                 0.1137                 0.0613
 AlphaG Fr= 1--      0.0133                 0.0257                 0.0577
 Gamma2 Fr= 1--      0.4529                -0.2679                -0.3313
 Delta2 Fr= 1--      0.2450                 0.0879                -0.1589
 Raman1 Fr= 1--       3.955                 21.605                  4.088
 ROA1   Fr= 1--      51.315                -22.905                -36.888
 CID1   Fr= 1--      12.976                 -1.060                 -9.024
 Raman2 Fr= 1--       0.918                  1.365                  0.735
 ROA2   Fr= 1--       8.909                 -7.132                 -6.680
 CID2   Fr= 1--       9.706                 -5.226                 -9.087
 Raman3 Fr= 1--       1.836                  2.730                  1.470
 ROA3   Fr= 1--      51.315                -22.905                -36.888
 CID3   Fr= 1--      27.951                 -8.391                -25.092
 RC180  Fr= 1--      -0.072                 -0.747                 -0.281
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.11    -0.04   0.05  -0.08     0.00  -0.02   0.02
     2   6    -0.19  -0.02   0.03     0.12  -0.01  -0.06    -0.08  -0.03   0.01
     3   6    -0.06  -0.05   0.26     0.35   0.10   0.36     0.03   0.02  -0.06
     4   8     0.04   0.13  -0.07     0.05  -0.25  -0.11     0.04  -0.04  -0.04
     5   8     0.06  -0.04   0.04    -0.09  -0.01   0.02     0.02  -0.00  -0.00
     6   7     0.02  -0.05  -0.00    -0.06  -0.13  -0.01    -0.07   0.07  -0.02
     7   8     0.11  -0.10  -0.11    -0.14   0.26  -0.07    -0.00   0.04   0.02
     8   1    -0.64  -0.04  -0.03    -0.30  -0.10  -0.10    -0.09  -0.06   0.01
     9   1    -0.09   0.31  -0.13    -0.17   0.24  -0.10     0.04  -0.05   0.02
    10   1    -0.05   0.11   0.07    -0.10   0.01   0.11     0.03  -0.02   0.00
    11   1     0.29   0.01  -0.01    -0.42  -0.01   0.12     0.07  -0.02   0.79
    12   1     0.06  -0.16   0.00    -0.10  -0.19   0.00     0.22  -0.19  -0.06
    13   1     0.22  -0.26   0.04    -0.18   0.11   0.06     0.34  -0.34   0.08
    14   1     0.09   0.00   0.03    -0.02   0.03   0.03     0.01  -0.00  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    867.3571               884.7048               948.3948
 Red. masses --      2.3885                 1.6905                 1.4784
 Frc consts  --      1.0587                 0.7796                 0.7835
 IR Inten    --     35.4104                57.3580                49.2112
 RamAct Fr= 1--      7.4057                 3.4680                 0.1396
  Dep-P Fr= 1--      0.0907                 0.3203                 0.7499
  Dep-U Fr= 1--      0.1664                 0.4852                 0.8571
 Alpha2 Fr= 1--      0.1326                 0.0334                 0.0000
 Beta2  Fr= 1--      0.2054                 0.2804                 0.0199
 AlphaG Fr= 1--     -0.0943                 0.0631                -0.0001
 Gamma2 Fr= 1--     -1.2081                 0.7650                 0.0169
 Delta2 Fr= 1--     -0.7606                 0.3799                 0.1096
 Raman1 Fr= 1--      29.623                 13.872                  0.559
 ROA1   Fr= 1--    -140.321                 85.594                  5.135
 CID1   Fr= 1--      -4.737                  6.170                  9.194
 Raman2 Fr= 1--       2.464                  3.365                  0.239
 ROA2   Fr= 1--     -22.911                 15.319                 -0.470
 CID2   Fr= 1--      -9.296                  4.552                 -1.965
 Raman3 Fr= 1--       4.929                  6.731                  0.479
 ROA3   Fr= 1--    -140.321                 85.594                  5.135
 CID3   Fr= 1--     -28.469                 12.717                 10.727
 RC180  Fr= 1--      -0.667                 -0.030                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.13   0.02    -0.04   0.13  -0.00     0.01  -0.06  -0.08
     2   6     0.11  -0.01  -0.14     0.08   0.05   0.05    -0.08   0.00   0.08
     3   6    -0.03  -0.04   0.14    -0.02  -0.01  -0.01    -0.00   0.02  -0.08
     4   8    -0.07   0.07  -0.04    -0.03   0.02  -0.02     0.04  -0.04  -0.00
     5   8    -0.06   0.01  -0.00     0.01  -0.01  -0.00    -0.01  -0.00   0.02
     6   7     0.03   0.12  -0.01     0.05  -0.14  -0.05     0.06  -0.04   0.00
     7   8     0.00  -0.07  -0.03     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1     0.01   0.01  -0.15     0.18  -0.04   0.07    -0.25   0.22   0.04
     9   1    -0.01   0.16  -0.01    -0.03  -0.22   0.02     0.05   0.39  -0.11
    10   1     0.13  -0.22   0.30    -0.16   0.23  -0.34     0.04  -0.17   0.36
    11   1     0.20  -0.04   0.58     0.17  -0.05   0.66     0.05  -0.03   0.20
    12   1    -0.23   0.03   0.08    -0.36   0.10   0.04    -0.35   0.47   0.06
    13   1    -0.05   0.45   0.18    -0.14   0.15   0.00    -0.18   0.07  -0.15
    14   1     0.05   0.05   0.02    -0.12  -0.06  -0.02     0.24   0.12   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1025.8044              1074.8673              1125.9706
 Red. masses --      2.7108                 3.1831                 1.3402
 Frc consts  --      1.6807                 2.1667                 1.0011
 IR Inten    --    150.0242                31.9500                 4.4723
 RamAct Fr= 1--      1.8057                 3.6896                 2.1254
  Dep-P Fr= 1--      0.4067                 0.4927                 0.6808
  Dep-U Fr= 1--      0.5782                 0.6602                 0.8101
 Alpha2 Fr= 1--      0.0131                 0.0188                 0.0026
 Beta2  Fr= 1--      0.1740                 0.4060                 0.2870
 AlphaG Fr= 1--      0.0258                -0.0249                 0.0048
 Gamma2 Fr= 1--      0.1910                 0.7024                 0.5786
 Delta2 Fr= 1--      0.4710                 0.5262                -0.2343
 Raman1 Fr= 1--       7.223                 14.758                  8.501
 ROA1   Fr= 1--      33.405                 84.273                 48.053
 CID1   Fr= 1--       4.625                  5.710                  5.652
 Raman2 Fr= 1--       2.088                  4.872                  3.444
 ROA2   Fr= 1--       0.815                 12.649                 15.761
 CID2   Fr= 1--       0.390                  2.597                  4.577
 Raman3 Fr= 1--       4.176                  9.743                  6.887
 ROA3   Fr= 1--      33.405                 84.273                 48.053
 CID3   Fr= 1--       7.999                  8.649                  6.977
 RC180  Fr= 1--       0.156                  0.320                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.09   0.16     0.31   0.12   0.02     0.04  -0.03   0.04
     2   6    -0.17   0.05  -0.10    -0.13   0.00  -0.03     0.01   0.09  -0.04
     3   6    -0.04   0.04   0.03    -0.02   0.01  -0.04     0.06  -0.03   0.01
     4   8     0.07  -0.07  -0.02     0.03  -0.03  -0.00    -0.02   0.04   0.00
     5   8     0.16   0.06  -0.04    -0.19  -0.09   0.05     0.00   0.01   0.00
     6   7     0.09   0.00  -0.00     0.05   0.01  -0.01    -0.03  -0.06   0.01
     7   8     0.00   0.04  -0.00     0.00   0.02   0.01    -0.01  -0.03  -0.00
     8   1    -0.32  -0.07  -0.10    -0.37  -0.10  -0.06    -0.09   0.58  -0.09
     9   1    -0.18  -0.34   0.16     0.18  -0.26   0.05    -0.27  -0.04   0.01
    10   1     0.14  -0.05  -0.11     0.51   0.15  -0.25     0.28  -0.07   0.02
    11   1     0.08  -0.07  -0.03     0.01  -0.02  -0.04    -0.08   0.06   0.06
    12   1    -0.27  -0.01   0.09    -0.11  -0.14   0.05     0.04   0.25  -0.05
    13   1    -0.23   0.46   0.06    -0.10   0.28   0.06     0.06  -0.41  -0.18
    14   1    -0.35  -0.20  -0.09    -0.26  -0.15   0.07    -0.38  -0.18  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1141.7743              1217.2927              1247.0755
 Red. masses --      2.2414                 2.2923                 1.7202
 Frc consts  --      1.7216                 2.0013                 1.5762
 IR Inten    --     33.6101                14.6259                 3.0055
 RamAct Fr= 1--      2.6238                 6.0567                 6.4311
  Dep-P Fr= 1--      0.7500                 0.3010                 0.3896
  Dep-U Fr= 1--      0.8571                 0.4627                 0.5607
 Alpha2 Fr= 1--      0.0000                 0.0619                 0.0494
 Beta2  Fr= 1--      0.3748                 0.4670                 0.6010
 AlphaG Fr= 1--      0.0001                 0.0342                 0.0145
 Gamma2 Fr= 1--      0.3340                -1.4530                 3.1382
 Delta2 Fr= 1--     -0.1987                -0.3119                -0.5092
 Raman1 Fr= 1--      10.495                 24.227                 25.724
 ROA1   Fr= 1--      25.704               -149.470                284.970
 CID1   Fr= 1--       2.449                 -6.170                 11.078
 Raman2 Fr= 1--       4.498                  5.604                  7.212
 ROA2   Fr= 1--       9.605                -32.377                 79.389
 CID2   Fr= 1--       2.135                 -5.777                 11.008
 Raman3 Fr= 1--       8.996                 11.209                 14.424
 ROA3   Fr= 1--      25.704               -149.470                284.970
 CID3   Fr= 1--       2.857                -13.335                 19.757
 RC180  Fr= 1--       0.714                 -0.075                  0.121
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.06    -0.03  -0.01  -0.00    -0.01   0.03   0.04
     2   6    -0.05   0.27  -0.00    -0.03  -0.00   0.06    -0.16  -0.05  -0.11
     3   6    -0.00  -0.01   0.02     0.24  -0.08  -0.10     0.10  -0.03   0.06
     4   8     0.02   0.00  -0.01    -0.05   0.12   0.02    -0.01   0.03  -0.01
     5   8    -0.03   0.00  -0.01     0.02   0.01  -0.00    -0.01  -0.02  -0.01
     6   7    -0.02  -0.10  -0.07     0.01   0.02  -0.01     0.03   0.01   0.05
     7   8    -0.02  -0.03  -0.00    -0.03  -0.08   0.01    -0.01  -0.01  -0.01
     8   1    -0.01   0.14   0.01    -0.49  -0.36   0.02     0.63  -0.00  -0.01
     9   1     0.48  -0.02   0.10    -0.06   0.01  -0.01     0.29  -0.12   0.07
    10   1    -0.36  -0.04   0.10    -0.06  -0.01   0.02    -0.02   0.07  -0.10
    11   1     0.00   0.01  -0.02    -0.51   0.32   0.11    -0.21   0.13   0.09
    12   1     0.09  -0.48  -0.06    -0.05  -0.18   0.03    -0.15   0.38   0.05
    13   1     0.01   0.03   0.08    -0.12   0.29   0.07    -0.06  -0.17  -0.17
    14   1     0.43   0.22   0.04    -0.03  -0.03  -0.00     0.31   0.17   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1302.5053              1380.3463              1397.6192
 Red. masses --      1.2873                 1.2487                 1.2944
 Frc consts  --      1.2868                 1.4018                 1.4897
 IR Inten    --      9.3254                22.5151                 4.5204
 RamAct Fr= 1--      2.6641                 1.3131                 4.4540
  Dep-P Fr= 1--      0.7074                 0.7342                 0.7500
  Dep-U Fr= 1--      0.8286                 0.8467                 0.8571
 Alpha2 Fr= 1--      0.0020                 0.0004                 0.0000
 Beta2  Fr= 1--      0.3679                 0.1853                 0.6363
 AlphaG Fr= 1--      0.0041                -0.0053                 0.0001
 Gamma2 Fr= 1--     -0.7469                -1.3267                 1.4303
 Delta2 Fr= 1--     -0.1692                -0.4446                -1.0394
 Raman1 Fr= 1--      10.656                  5.252                 17.816
 ROA1   Fr= 1--     -77.117               -141.595                104.048
 CID1   Fr= 1--      -7.237                -26.959                  5.840
 Raman2 Fr= 1--       4.415                  2.224                  7.635
 ROA2   Fr= 1--     -16.572                -28.285                 42.642
 CID2   Fr= 1--      -3.753                -12.720                  5.585
 Raman3 Fr= 1--       8.830                  4.447                 15.271
 ROA3   Fr= 1--     -77.117               -141.595                104.048
 CID3   Fr= 1--      -8.733                -31.838                  6.813
 RC180  Fr= 1--       0.657                  0.693                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.08    -0.07   0.05   0.07    -0.02   0.03   0.01
     2   6    -0.07   0.07   0.07     0.04   0.02   0.01    -0.03  -0.13   0.05
     3   6     0.00  -0.00   0.02     0.00  -0.01  -0.01     0.01  -0.00   0.01
     4   8     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.01   0.01  -0.00
     5   8     0.01  -0.00   0.01    -0.02  -0.05  -0.05     0.00  -0.00  -0.01
     6   7     0.00  -0.01  -0.04    -0.01  -0.01  -0.00     0.01   0.02  -0.06
     7   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.60  -0.14   0.18    -0.15  -0.01  -0.01     0.08   0.83   0.00
     9   1    -0.16   0.16  -0.11    -0.31  -0.15   0.07     0.04  -0.12   0.04
    10   1     0.51  -0.15   0.14     0.62  -0.02  -0.01    -0.07   0.03   0.03
    11   1    -0.10   0.06   0.03     0.07  -0.04  -0.02    -0.14   0.08   0.01
    12   1     0.03  -0.27  -0.01     0.02  -0.01  -0.01     0.04  -0.30  -0.03
    13   1    -0.03   0.17   0.08     0.01  -0.01   0.01    -0.03   0.32   0.13
    14   1    -0.22  -0.12  -0.01     0.58   0.31  -0.02     0.08   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1404.1438              1414.0166              1503.7299
 Red. masses --      1.2334                 1.6221                 1.0844
 Frc consts  --      1.4328                 1.9109                 1.4448
 IR Inten    --     17.2006               405.9445                 3.0156
 RamAct Fr= 1--      1.5591                 4.7639                 4.4387
  Dep-P Fr= 1--      0.4260                 0.1643                 0.7441
  Dep-U Fr= 1--      0.5974                 0.2823                 0.8533
 Alpha2 Fr= 1--      0.0105                 0.0710                 0.0004
 Beta2  Fr= 1--      0.1552                 0.2241                 0.6313
 AlphaG Fr= 1--      0.0161                -0.0461                 0.0020
 Gamma2 Fr= 1--      0.9515                 0.0233                -0.0008
 Delta2 Fr= 1--      0.0128                 0.1383                 0.1030
 Raman1 Fr= 1--       6.236                 19.056                 17.755
 ROA1   Fr= 1--      91.757                  6.661                  3.215
 CID1   Fr= 1--      14.713                  0.350                  0.181
 Raman2 Fr= 1--       1.863                  2.689                  7.575
 ROA2   Fr= 1--      22.734                 -0.548                 -0.845
 CID2   Fr= 1--      12.203                 -0.204                 -0.111
 Raman3 Fr= 1--       3.726                  5.379                 15.150
 ROA3   Fr= 1--      91.757                  6.661                  3.215
 CID3   Fr= 1--      24.627                  1.238                  0.212
 RC180  Fr= 1--       0.195                 -0.435                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03  -0.04    -0.00  -0.00  -0.01     0.02   0.06  -0.05
     2   6     0.05  -0.00  -0.02    -0.06  -0.00   0.02    -0.00   0.01  -0.01
     3   6     0.00  -0.01  -0.01     0.15  -0.06  -0.03    -0.00  -0.00   0.00
     4   8    -0.01   0.00   0.00    -0.12   0.01   0.02     0.00  -0.00   0.00
     5   8     0.00   0.00   0.03     0.01   0.00   0.00     0.00   0.01  -0.00
     6   7    -0.01  -0.00   0.00     0.01   0.01  -0.01     0.00  -0.00   0.01
     7   8     0.00   0.00   0.00    -0.01   0.06   0.00     0.00   0.00  -0.00
     8   1    -0.16   0.05  -0.05     0.08   0.07   0.03     0.03  -0.07   0.00
     9   1     0.83  -0.14   0.05     0.01   0.01  -0.01    -0.14  -0.67   0.01
    10   1     0.41  -0.09   0.11    -0.02  -0.01   0.02    -0.17  -0.12   0.69
    11   1     0.02  -0.01  -0.01     0.82  -0.46  -0.18    -0.00   0.00   0.00
    12   1     0.01   0.04  -0.01    -0.01  -0.13   0.01    -0.03   0.01   0.01
    13   1     0.01  -0.03  -0.01     0.01   0.03  -0.00    -0.01  -0.05  -0.04
    14   1    -0.17  -0.11   0.03    -0.04  -0.02  -0.00    -0.01   0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.1986              1834.6990              3030.5293
 Red. masses --      1.0888                 9.7187                 1.0786
 Frc consts  --      1.7831                19.2748                 5.8363
 IR Inten    --     37.1995               313.3596                 2.6443
 RamAct Fr= 1--      3.8152                14.4221               176.1860
  Dep-P Fr= 1--      0.5927                 0.2983                 0.1474
  Dep-U Fr= 1--      0.7443                 0.4596                 0.2570
 Alpha2 Fr= 1--      0.0112                 0.1487                 2.7414
 Beta2  Fr= 1--      0.4732                 1.1046                 7.5459
 AlphaG Fr= 1--     -0.0014                 0.1229                -0.3119
 Gamma2 Fr= 1--     -0.0691                 0.6355                -0.1032
 Delta2 Fr= 1--     -0.1688                 0.1955                 2.4089
 Raman1 Fr= 1--      15.261                 57.688                704.744
 ROA1   Fr= 1--     -12.032                 67.260                 67.179
 CID1   Fr= 1--      -0.788                  1.166                  0.095
 Raman2 Fr= 1--       5.679                 13.256                 90.551
 ROA2   Fr= 1--      -0.307                 13.687                -21.748
 CID2   Fr= 1--      -0.054                  1.033                 -0.240
 Raman3 Fr= 1--      11.358                 26.511                181.102
 ROA3   Fr= 1--     -12.032                 67.260                 67.179
 CID3   Fr= 1--      -1.059                  2.537                  0.371
 RC180  Fr= 1--       0.489                 -0.081                 -0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00  -0.01   0.03
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01     0.01  -0.00  -0.07
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.01     0.00  -0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.00     0.00   0.00   0.00
     8   1     0.02  -0.03   0.00     0.01   0.03   0.00    -0.11   0.06   0.86
     9   1     0.00  -0.03  -0.00     0.03  -0.02  -0.01     0.04  -0.04  -0.46
    10   1    -0.01  -0.00   0.03     0.06   0.02   0.02     0.02   0.14   0.04
    11   1     0.02  -0.01  -0.02     0.47  -0.20  -0.11    -0.00   0.00  -0.00
    12   1     0.41   0.54  -0.21    -0.00   0.01   0.00    -0.01  -0.00  -0.02
    13   1     0.24   0.33   0.57     0.02  -0.03   0.01     0.01  -0.00  -0.01
    14   1    -0.00  -0.01   0.00    -0.00   0.00  -0.01    -0.00   0.00   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.1804              3096.5599              3440.3785
 Red. masses --      1.0647                 1.1058                 1.0642
 Frc consts  --      5.8170                 6.2473                 7.4215
 IR Inten    --     27.2891                17.6502               259.9799
 RamAct Fr= 1--     35.7354                51.3646                81.2620
  Dep-P Fr= 1--      0.0695                 0.5311                 0.0858
  Dep-U Fr= 1--      0.1299                 0.6937                 0.1581
 Alpha2 Fr= 1--      0.6738                 0.2176                 1.4727
 Beta2  Fr= 1--      0.7736                 5.9388                 2.1414
 AlphaG Fr= 1--     -0.1068                -0.2154                 0.1675
 Gamma2 Fr= 1--      0.3676                -3.8761                 0.5675
 Delta2 Fr= 1--      1.4619                -2.6861                 1.6482
 Raman1 Fr= 1--     142.942                205.459                325.048
 ROA1   Fr= 1--      82.068               -458.059                107.225
 CID1   Fr= 1--       0.574                 -2.229                  0.330
 Raman2 Fr= 1--       9.283                 71.266                 25.697
 ROA2   Fr= 1--      -2.873                -71.537                  0.435
 CID2   Fr= 1--      -0.309                 -1.004                  0.017
 Raman3 Fr= 1--      18.567                142.532                 51.394
 ROA3   Fr= 1--      82.068               -458.059                107.225
 CID3   Fr= 1--       4.420                 -3.214                  2.086
 RC180  Fr= 1--      -0.740                  0.387                 -0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.00  -0.07  -0.06     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.06   0.03   0.46    -0.01   0.01   0.13    -0.00  -0.00  -0.00
     9   1    -0.06   0.07   0.72    -0.04   0.03   0.49     0.00   0.00  -0.00
    10   1    -0.07  -0.48  -0.14     0.11   0.82   0.21     0.00  -0.01  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.90  -0.04
    12   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.03   0.01   0.09
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.05   0.03  -0.05
    14   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3491.7203              3578.6627              3808.9110
 Red. masses --      1.0540                 1.0888                 1.0666
 Frc consts  --      7.5712                 8.2159                 9.1169
 IR Inten    --      0.8370                10.7196                36.4128
 RamAct Fr= 1--     93.9122                68.8685                92.9917
  Dep-P Fr= 1--      0.0874                 0.4761                 0.1810
  Dep-U Fr= 1--      0.1607                 0.6451                 0.3065
 Alpha2 Fr= 1--      1.6957                 0.3786                 1.3275
 Beta2  Fr= 1--      2.5148                 7.4048                 4.7506
 AlphaG Fr= 1--     -0.1673                 0.1232                 0.7408
 Gamma2 Fr= 1--     -3.0290                 1.7302                 3.4726
 Delta2 Fr= 1--     -1.1001                -1.1312                 0.7240
 Raman1 Fr= 1--     375.649                275.474                371.967
 ROA1   Fr= 1--    -325.990                129.902                356.539
 CID1   Fr= 1--      -0.868                  0.472                  0.959
 Raman2 Fr= 1--      30.178                 88.857                 57.007
 ROA2   Fr= 1--     -63.895                 50.574                 77.550
 CID2   Fr= 1--      -2.117                  0.569                  1.360
 Raman3 Fr= 1--      60.355                177.715                114.014
 ROA3   Fr= 1--    -325.990                129.902                356.539
 CID3   Fr= 1--      -5.401                  0.731                  3.127
 RC180  Fr= 1--      -0.679                  0.290                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02  -0.05
     6   7    -0.04  -0.02  -0.04    -0.03  -0.03   0.07     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01   0.01
    11   1    -0.05  -0.10   0.00    -0.01  -0.03   0.00     0.00  -0.00  -0.00
    12   1     0.24   0.10   0.85    -0.14  -0.05  -0.40     0.00   0.00   0.00
    13   1     0.26   0.21  -0.28     0.59   0.44  -0.53    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.29   0.41   0.86

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   393.69852 981.440281309.20589
           X            0.99976  -0.02150  -0.00474
           Y            0.02150   0.99977   0.00021
           Z            0.00474  -0.00031   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22000     0.08825     0.06616
 Rotational constants (GHZ):           4.58407     1.83887     1.37850
 Zero-point vibrational energy     296833.3 (Joules/Mol)
                                   70.94486 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     70.04   162.81   286.12   312.39   372.54
          (Kelvin)            460.60   527.14   624.00   760.17   891.65
                             1057.00  1233.78  1247.93  1272.89  1364.53
                             1475.90  1546.49  1620.02  1642.76  1751.41
                             1794.26  1874.01  1986.01  2010.86  2020.25
                             2034.45  2163.53  2398.73  2639.72  4360.26
                             4381.34  4455.26  4949.94  5023.81  5148.90
                             5480.17
 
 Zero-point correction=                           0.113058 (Hartree/Particle)
 Thermal correction to Energy=                    0.120889
 Thermal correction to Enthalpy=                  0.121833
 Thermal correction to Gibbs Free Energy=         0.080483
 Sum of electronic and zero-point Energies=           -399.038862
 Sum of electronic and thermal Energies=              -399.031031
 Sum of electronic and thermal Enthalpies=            -399.030087
 Sum of electronic and thermal Free Energies=         -399.071437
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.859             27.099             87.029
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.716
 Vibrational             74.081             21.137             19.448
 Vibration     1          0.595              1.978              4.870
 Vibration     2          0.607              1.939              3.214
 Vibration     3          0.637              1.841              2.144
 Vibration     4          0.646              1.815              1.983
 Vibration     5          0.668              1.748              1.669
 Vibration     6          0.706              1.635              1.309
 Vibration     7          0.739              1.541              1.095
 Vibration     8          0.794              1.397              0.847
 Vibration     9          0.883              1.187              0.591
 Vibration    10          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.956338D-37        -37.019388        -85.240292
 Total V=0       0.962845D+15         14.983556         34.500914
 Vib (Bot)       0.887659D-50        -50.051754       -115.248422
 Vib (Bot)    1  0.424689D+01          0.628071          1.446186
 Vib (Bot)    2  0.180875D+01          0.257378          0.592634
 Vib (Bot)    3  0.100312D+01          0.001352          0.003113
 Vib (Bot)    4  0.912107D+00         -0.039954         -0.091998
 Vib (Bot)    5  0.750541D+00         -0.124626         -0.286961
 Vib (Bot)    6  0.587147D+00         -0.231253         -0.532480
 Vib (Bot)    7  0.498137D+00         -0.302651         -0.696880
 Vib (Bot)    8  0.400586D+00         -0.397304         -0.914826
 Vib (Bot)    9  0.303163D+00         -0.518324         -1.193485
 Vib (Bot)   10  0.236045D+00         -0.627005         -1.443732
 Vib (V=0)       0.893698D+02          1.951191          4.492783
 Vib (V=0)    1  0.477622D+01          0.679084          1.563649
 Vib (V=0)    2  0.237658D+01          0.375953          0.865664
 Vib (V=0)    3  0.162082D+01          0.209736          0.482934
 Vib (V=0)    4  0.154016D+01          0.187567          0.431888
 Vib (V=0)    5  0.140184D+01          0.146698          0.337784
 Vib (V=0)    6  0.127119D+01          0.104212          0.239957
 Vib (V=0)    7  0.120579D+01          0.081272          0.187136
 Vib (V=0)    8  0.114068D+01          0.057163          0.131623
 Vib (V=0)    9  0.108473D+01          0.035321          0.081330
 Vib (V=0)   10  0.105292D+01          0.022394          0.051564
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.254603D+06          5.405863         12.447460
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3  3 3          333                                       1     1    11111  1 11 11 11                                  
     8       5  4 4          000                                       8     6    54433  3 22 11 00  9888   7   6  5  4 3 3 221  1   
     0       7  9 4          943                                       3     6    01098  0 41 42 72  4865   3   2  2  3 6 2 519  1 4 
     9       9  2 0          751                                       5     7    44480  3 77 26 56  8578   5   0  8  4 6 0 979  3 9 
 
     X       X  X X          XXX                                       X     X    XXXXX  X XX XX XX  XXXX   X   X  X  X X X XXX  X X 
     X            X                                                    X     X     X          X  XX  XXXX                    XX      
                  X                                                    X           X              X   X X                    X       
                  X                                                    X           X              X     X                    X       
                  X                                                    X           X              X                          X       
                  X                                                    X           X              X                                  
                  X                                                    X           X              X                                  
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                                                                       X           X                                                 
                                                                       X           X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000026942    0.000003862    0.000021427
      2        6          -0.000045838    0.000013748   -0.000034253
      3        6           0.000030767    0.000016217   -0.000001765
      4        8           0.000000747    0.000007010    0.000001110
      5        8          -0.000012304   -0.000029752    0.000015538
      6        7           0.000004648   -0.000016981    0.000010314
      7        8          -0.000004295   -0.000032921   -0.000000275
      8        1           0.000010396   -0.000005835    0.000000750
      9        1          -0.000003924    0.000005373   -0.000000980
     10        1           0.000001209    0.000000431    0.000001253
     11        1          -0.000017386    0.000012429    0.000004674
     12        1           0.000014459    0.000005500   -0.000000056
     13        1          -0.000002209    0.000007324   -0.000003866
     14        1          -0.000003211    0.000013594   -0.000013872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045838 RMS     0.000015502
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.681343D+02  0.145581D+00 -0.184437D+01
      2   0.145581D+00  0.661288D+02  0.357033D+00
      3  -0.184437D+01  0.357033D+00  0.495217D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.149226D+00 -0.194054D+01 -0.180725D+01
      2   0.326360D-01 -0.558123D+00  0.138358D+02
      3   0.587583D+01  0.606061D+01  0.182874D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.241028D+02 -0.385313D+01 -0.253819D+01
      2  -0.191556D+02  0.458627D+01  0.110780D+01
      3  -0.494717D+01 -0.733140D+00  0.143039D+01
      4   0.487723D+01 -0.102118D+02 -0.155886D+01
      5  -0.356111D+01 -0.408419D+01  0.306354D+02
      6  -0.125159D+01 -0.416471D+00  0.674734D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133889D+00 -0.173333D+01  0.817358D+00 -0.341653D+01  0.135856D+01
      2  -0.173333D+01  0.272376D+01 -0.321293D+00  0.135856D+01  0.482227D+01
      3   0.817358D+00 -0.321293D+00  0.196599D+01 -0.396323D+00  0.112325D+01
                 6             7             8             9            10 
      1  -0.396323D+00  0.217831D+01 -0.609720D+00  0.110359D+01  0.169080D+00
      2   0.112325D+01 -0.609720D+00  0.175543D+01  0.442830D-01  0.322045D+01
      3  -0.447811D+00  0.110359D+01  0.442830D-01 -0.799177D+01 -0.819715D+00
                11            12            13            14            15 
      1   0.322045D+01 -0.819715D+00  0.243895D+01 -0.151785D+00 -0.483604D-01
      2  -0.214045D+01  0.597322D+00 -0.151785D+00 -0.356145D+01 -0.741911D+00
      3   0.597322D+00 -0.716499D+00 -0.483604D-01 -0.741911D+00  0.965835D+00
                16            17            18            19            20 
      1  -0.113362D+01  0.120322D+01 -0.114536D+01 -0.246472D+01 -0.231217D+01
      2   0.120322D+01 -0.138659D+01  0.468200D+00 -0.231217D+01  0.158850D+01
      3  -0.114536D+01  0.468200D+00  0.753121D+01 -0.218515D-01  0.184502D+00
                21            22            23            24            25 
      1  -0.218515D-01  0.692090D-01  0.305699D+01  0.334774D+00 -0.133098D+01
      2   0.184502D+00  0.305699D+01  0.660717D+01 -0.657426D-02  0.420466D+00
      3  -0.539326D+00  0.334774D+00 -0.657426D-02  0.483593D+00 -0.199649D+00
                26            27            28            29            30 
      1   0.420466D+00 -0.199649D+00 -0.832486D+01  0.186852D+01  0.530521D+00
      2   0.654684D+00  0.127757D+00  0.186852D+01 -0.275343D+01 -0.265709D+00
      3   0.127757D+00 -0.362388D+00  0.530521D+00 -0.265709D+00 -0.970470D+00
                31            32            33            34            35 
      1  -0.166235D+01 -0.426004D+01  0.206495D-01  0.191335D+01 -0.262684D+00
      2  -0.426004D+01 -0.121646D+01  0.239684D+00 -0.262684D+00  0.180194D+00
      3   0.206495D-01  0.239684D+00  0.517610D+00 -0.182680D+01  0.124720D+01
                36            37            38            39            40 
      1  -0.182680D+01  0.707012D+01  0.526485D+00  0.133589D+01  0.292507D+01
      2   0.124720D+01  0.526485D+00  0.164281D-01 -0.378937D+00  0.487993D+00
      3   0.937303D+00  0.133589D+01 -0.378937D+00 -0.166007D+01 -0.727996D+00
                41            42            43            44            45 
      1   0.487993D+00 -0.727996D+00  0.300299D+01 -0.541551D+00 -0.965057D+00
      2   0.113019D+01  0.285369D+00 -0.541551D+00  0.914607D+00  0.132943D+01
      3   0.285369D+00  0.181207D+01 -0.965057D+00  0.132943D+01  0.442851D+01
                46            47            48            49            50 
      1  -0.215023D+01 -0.249901D+01  0.107563D+01 -0.131037D+01 -0.202540D+01
      2  -0.249901D+01 -0.194669D+01  0.131786D+00 -0.202540D+01  0.446697D+01
      3   0.107563D+01  0.131786D+00 -0.229624D+01  0.424308D+00  0.704464D+00
                51            52            53            54            55 
      1   0.424308D+00  0.139994D+01  0.448253D+00 -0.234814D+01 -0.199053D+01
      2   0.704464D+00  0.448253D+00  0.813752D+00 -0.117540D+01 -0.319689D+01
      3  -0.885824D+00 -0.234814D+01 -0.117540D+01 -0.403783D+01 -0.876072D-01
                56            57            58            59            60 
      1  -0.319689D+01 -0.876072D-01 -0.462607D+01 -0.302460D+01 -0.105055D+00
      2  -0.283033D+01 -0.262678D+00 -0.302460D+01 -0.131582D+02 -0.112411D+00
      3  -0.262678D+00 -0.283453D+00 -0.105055D+00 -0.112411D+00 -0.242993D+01
                61            62            63            64            65 
      1   0.264898D-01 -0.800711D-01 -0.114062D+01  0.392025D+00 -0.457624D+00
      2  -0.800711D-01 -0.852399D-01 -0.320359D+01 -0.457624D+00  0.489910D+00
      3  -0.114062D+01 -0.320359D+01 -0.449538D-01 -0.114532D+01 -0.588385D-01
                66            67            68            69            70 
      1  -0.114532D+01 -0.125568D+01  0.388885D+00  0.168596D+00 -0.172004D+01
      2  -0.588385D-01  0.388885D+00  0.459273D+00 -0.109140D+01 -0.179745D+00
      3   0.118238D+01  0.168596D+00 -0.109140D+01 -0.630015D+00  0.941120D+00
                71            72            73            74            75 
      1  -0.179745D+00  0.941120D+00  0.103003D+00  0.240695D+00  0.913664D+00
      2  -0.148954D+01 -0.959445D-01  0.240695D+00 -0.322790D+00  0.942948D-01
      3  -0.959445D-01 -0.866611D+01  0.913664D+00  0.942948D-01 -0.768007D+00
                76            77            78            79            80 
      1   0.949692D+00 -0.106423D+00 -0.306077D-01  0.167173D+01 -0.237475D+00
      2  -0.106423D+00 -0.422751D+00  0.102384D+01 -0.237475D+00  0.134296D+01
      3  -0.306077D-01  0.102384D+01  0.778660D+00  0.915243D-01 -0.690875D+00
                81            82            83            84            85 
      1   0.915243D-01 -0.843601D+00 -0.861291D+00 -0.355430D+00 -0.146751D+01
      2  -0.690875D+00 -0.861291D+00 -0.390873D+00  0.725285D-01  0.154749D-01
      3   0.876125D+01 -0.355430D+00  0.725285D-01 -0.180169D+00  0.364960D-02
                86            87            88            89            90 
      1   0.154749D-01  0.364960D-02 -0.112907D+01  0.103405D+00 -0.991707D-01
      2  -0.864598D+01 -0.417983D+00  0.103405D+00 -0.140209D+01 -0.114498D+01
      3  -0.417983D+00 -0.106955D+01 -0.991707D-01 -0.114498D+01  0.924237D-01
                91            92            93            94            95 
      1   0.200006D+01  0.212896D+01 -0.280493D+00  0.500768D+01  0.226964D+00
      2   0.212896D+01  0.513847D+00  0.127683D+00  0.226964D+00  0.520535D+01
      3  -0.280493D+00  0.127683D+00 -0.368458D+00 -0.280425D+00  0.192770D+00
                96            97            98            99           100 
      1  -0.280425D+00 -0.480137D+00 -0.134495D+00 -0.641938D+00  0.328748D+00
      2   0.192770D+00 -0.134495D+00 -0.528907D-01  0.660528D+00  0.899719D+00
      3   0.921821D+00 -0.641938D+00  0.660528D+00  0.129071D+00  0.769375D+00
               101           102           103           104           105 
      1   0.899719D+00  0.769375D+00  0.808588D+00  0.393299D+00  0.508834D+00
      2   0.717619D+00  0.790629D+00  0.393299D+00  0.141428D+01  0.796447D+00
      3   0.790629D+00  0.127965D+01  0.508834D+00  0.796447D+00  0.885745D+00
               106           107           108           109           110 
      1   0.190540D+01  0.642472D+00  0.175910D+01  0.309192D+01  0.275276D+01
      2   0.642472D+00  0.270076D+01  0.210456D+01  0.275276D+01  0.353344D+01
      3   0.175910D+01  0.210456D+01  0.606655D+01 -0.118910D+01 -0.107751D+01
               111           112           113           114           115 
      1  -0.118910D+01  0.303694D+01  0.251659D+01 -0.914850D+00 -0.251161D+01
      2  -0.107751D+01  0.251659D+01  0.384403D+01 -0.105183D+01 -0.163180D+01
      3   0.146039D+01 -0.914850D+00 -0.105183D+01  0.114055D+01  0.148778D+01
               116           117           118           119           120 
      1  -0.163180D+01  0.148778D+01  0.275288D+01 -0.577274D+00 -0.154293D+01
      2  -0.250404D+01  0.161602D+01 -0.577274D+00  0.801054D+00  0.366221D+00
      3   0.161602D+01 -0.172220D+01 -0.154293D+01  0.366221D+00  0.189427D+01
               121           122           123           124           125 
      1  -0.149762D+01  0.112349D+01  0.104281D+01 -0.379275D+01  0.859721D+00
      2   0.112349D+01 -0.944725D+00 -0.943718D+00  0.859721D+00 -0.144200D+01
      3   0.104281D+01 -0.943718D+00 -0.204276D+01  0.298361D+01 -0.128720D+01
               126 
      1   0.298361D+01
      2  -0.128720D+01
      3  -0.512108D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.182826D+01  0.297033D+00  0.965246D+00 -0.176913D+01  0.797765D+01
      2   0.130932D+01  0.596240D-01  0.102193D+01 -0.141374D+01  0.660358D+00
      3   0.146863D+01  0.218888D+01 -0.684232D+00  0.715674D+01 -0.897647D+01
                 6             7             8             9            10 
      1  -0.174027D+01  0.935934D-01  0.222577D+01 -0.580437D+01 -0.100211D+01
      2  -0.559216D+00 -0.307164D+01  0.760845D+00 -0.745489D+01  0.401889D+01
      3  -0.865306D+00 -0.238762D+01 -0.188901D+01 -0.385352D+00  0.178154D+01
                11            12            13            14            15 
      1   0.868245D+00 -0.727268D+00  0.100562D+01  0.148516D+00 -0.376160D+00
      2  -0.138940D+01  0.284063D+01  0.203745D+01 -0.221352D+01  0.121812D+01
      3  -0.519542D+01  0.688009D+00 -0.215869D+01  0.146154D+01  0.919447D+00
                16            17            18            19            20 
      1  -0.111055D+01  0.474393D+01  0.224665D-01  0.774235D+00  0.103431D+01
      2  -0.365028D+01  0.272916D+00  0.163488D+01 -0.591474D+01  0.372422D+00
      3  -0.406935D+00  0.116717D+01  0.698103D+00 -0.697867D+01  0.758549D+00
                21            22            23            24            25 
      1   0.276493D+00  0.167678D+01 -0.415326D+00  0.967821D+01 -0.333030D+00
      2  -0.540231D+01 -0.885459D+00  0.178318D+01 -0.174038D+01 -0.189892D+02
      3  -0.286199D+00  0.227249D-02  0.107555D+02 -0.175348D+01  0.297016D+01
                26            27            28            29            30 
      1   0.991252D+01  0.602051D+00 -0.103184D+01 -0.104116D+01  0.289197D+01
      2  -0.145532D+01  0.405803D+01  0.616202D+00  0.274465D+00  0.781969D+01
      3  -0.243707D+01  0.938996D+00 -0.531679D+01 -0.160753D+02  0.150236D+00
                31            32            33            34            35 
      1  -0.549470D+00 -0.920511D+00 -0.403765D+01  0.781088D+00  0.218978D+01
      2   0.101226D+01 -0.811910D-01 -0.891903D+00  0.558042D+01 -0.965571D+00
      3  -0.124915D+02 -0.111405D+02  0.343031D+00  0.958922D-01  0.224799D+01
                36            37            38            39            40 
      1  -0.670987D+00 -0.356015D+00 -0.202845D+00  0.348561D+00  0.170657D+01
      2  -0.275688D+01  0.215087D+01 -0.183378D+01  0.190404D+01 -0.193246D+01
      3   0.182314D+01 -0.704884D+01 -0.824538D+01  0.193363D+01  0.990116D+00
                41            42            43            44            45 
      1  -0.955831D+00 -0.246295D+01  0.217824D+01  0.120314D+01  0.105160D+01
      2   0.129974D+01  0.596512D+01 -0.792902D+01  0.397719D+01  0.133942D+02
      3  -0.560502D+01 -0.214337D+01  0.186519D+01 -0.282455D+01 -0.489282D+01
                46            47            48            49            50 
      1  -0.240314D+01 -0.118357D+01  0.567279D+01 -0.236719D+01 -0.411783D+01
      2  -0.213310D+00  0.183554D+01  0.364427D+01  0.879883D+00  0.798681D+00
      3  -0.516482D+01 -0.125980D+02  0.145363D+01  0.180533D+01 -0.249097D+01
                51            52            53            54            55 
      1  -0.257140D+01  0.636103D+01  0.801362D+01  0.796619D+01  0.185997D+00
      2  -0.927970D+00 -0.327328D+01 -0.880723D+00  0.316368D+00  0.250595D+00
      3   0.706500D+00  0.352164D+01  0.137799D+01 -0.540076D+01  0.139230D+00
                56            57            58            59            60 
      1  -0.221032D-01 -0.308470D+01  0.147967D-01  0.120509D+01 -0.114009D+02
      2   0.205648D+00  0.484977D+01 -0.174028D+01 -0.872981D+00  0.450385D+01
      3  -0.581027D+01 -0.311810D+00  0.104606D+02 -0.183775D+02  0.424962D+00
                61            62            63            64            65 
      1  -0.416353D+00  0.866279D+00  0.188309D+00  0.119595D+00 -0.953916D+00
      2   0.281020D+01  0.453580D+01 -0.108392D+01  0.219713D+00 -0.513620D-01
      3  -0.157307D+01  0.394942D+00 -0.460674D+01  0.189702D+00 -0.744828D+00
                66            67            68            69            70 
      1   0.218229D+00 -0.562371D+00 -0.591925D+00 -0.436201D+00  0.221304D+00
      2   0.112535D+01 -0.316421D+00  0.441956D+00 -0.708435D+00 -0.237203D+01
      3  -0.191350D+00  0.155723D+01 -0.373884D+00  0.189249D+00  0.201260D-01
                71            72            73            74            75 
      1   0.316227D+01  0.995259D+00  0.973008D+00 -0.550903D+00 -0.228908D+00
      2  -0.198335D+00 -0.145764D+01  0.124635D+01  0.224344D-01  0.418917D-01
      3   0.401827D+00  0.235517D+00 -0.134447D+00 -0.724915D+00 -0.816770D+00
                76            77            78            79            80 
      1  -0.255011D+00  0.372941D+00 -0.933236D-02  0.103247D+00  0.328567D+01
      2  -0.401559D+00  0.147399D+01  0.879921D+00 -0.395163D+01 -0.591318D+00
      3   0.435666D-01  0.540856D+00 -0.106276D+01 -0.113060D+01 -0.131657D+01
                81            82            83            84            85 
      1   0.683290D+01 -0.120924D+01 -0.718358D-02 -0.354055D+00 -0.666039D-01
      2   0.100542D+02 -0.162536D+00  0.342711D+00  0.542044D+00  0.380785D+00
      3   0.576194D+00  0.365741D+01  0.123151D+01  0.630628D+00  0.538390D+01
                86            87            88            89            90 
      1  -0.457996D+01 -0.402884D+01  0.110442D+00 -0.124311D+01 -0.649296D+00
      2   0.212401D+00 -0.896660D+00 -0.849483D+00 -0.104411D+01  0.143111D+00
      3   0.105460D+02  0.567072D+00  0.185976D+01  0.165668D+01  0.111702D+01
                91            92            93            94            95 
      1   0.103926D+01  0.737642D+00  0.103652D+01  0.763695D+00  0.121710D+01
      2  -0.629572D+00 -0.712928D+00 -0.147296D+01 -0.370840D+00 -0.845414D+00
      3   0.833934D+01  0.102593D+02 -0.293795D+00  0.136955D+02  0.176275D+02
                96            97            98            99           100 
      1  -0.120999D+01  0.959355D+00  0.105600D+01  0.139564D+00 -0.145874D+01
      2  -0.227572D+01 -0.204431D+01 -0.195227D+01  0.877780D-01 -0.600355D+00
      3   0.279854D+00 -0.828946D+00 -0.108155D+01 -0.323436D-01  0.683508D+00
               101           102           103           104           105 
      1  -0.864856D+00 -0.327538D+01 -0.809035D+00 -0.192203D+01 -0.250911D+01
      2   0.167141D+00  0.501216D+00 -0.852857D-02 -0.116558D+00  0.442830D+00
      3   0.109621D+01  0.975840D+00  0.205630D+01  0.539132D+00  0.900917D+00
               106           107           108           109           110 
      1  -0.457722D+01 -0.237592D+01 -0.129061D+02  0.252930D+01  0.228332D+01
      2  -0.229092D+01  0.687200D+00  0.779035D+00  0.933401D+00 -0.273174D+00
      3   0.404640D+01  0.153878D+00  0.364019D+01  0.719442D+01  0.326872D+01
               111           112           113           114           115 
      1  -0.395608D+01  0.219960D+01  0.206682D+01 -0.281758D+01 -0.339110D+01
      2   0.108264D+01  0.598408D-01  0.156575D+00  0.832645D+00 -0.935116D+00
      3  -0.239023D+01  0.712375D+01  0.348201D+01 -0.195096D+01 -0.626441D+01
               116           117           118           119           120 
      1  -0.209668D+01  0.322491D+01  0.114339D-01 -0.394019D+00  0.216597D+00
      2   0.412893D+00 -0.864205D+00 -0.414683D+01  0.115943D+01  0.626257D+01
      3  -0.246082D+01  0.276608D+01  0.111690D+01 -0.247404D+01 -0.103596D+01
               121           122           123           124           125 
      1  -0.662445D-01  0.336531D+00 -0.838553D+00 -0.907142D+00  0.212169D+01
      2   0.269907D+01 -0.269723D+01 -0.584220D+01  0.689889D+01 -0.363155D+01
      3  -0.155771D+01  0.208419D+01  0.252307D+01 -0.178758D+01  0.460909D+01
               126 
      1  -0.814089D+00
      2  -0.159283D+02
      3   0.352276D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.212616D+02  0.279901D+00 -0.203384D+01 -0.820602D+01  0.142452D+02
      2   0.974915D+01 -0.242562D+01 -0.187190D+01  0.328147D+01 -0.189533D+02
      3   0.115124D+02  0.214572D+01  0.390574D+01  0.492455D+01  0.470802D+01
      4  -0.138864D+01 -0.120634D+01 -0.173204D+00  0.855890D+01  0.706755D+01
      5   0.124703D+01 -0.473875D+00 -0.215756D+01 -0.130960D+01  0.219725D+01
      6  -0.407251D+01  0.418145D+01 -0.246768D+01  0.149433D+01 -0.417988D+01
                 6             7             8             9            10 
      1   0.110470D+01  0.640353D+01  0.133065D+01  0.149998D+02 -0.373273D+01
      2  -0.187088D+01 -0.350082D+01 -0.200353D+01  0.278233D+01  0.723086D+01
      3   0.766183D+00 -0.290271D+01  0.672879D+00 -0.177822D+02 -0.349813D+01
      4   0.232617D+01 -0.281115D+01  0.412085D+01 -0.154921D+01  0.274286D+00
      5  -0.163402D+01  0.471751D+01 -0.176188D+00 -0.164000D+02 -0.709899D-01
      6   0.190671D+01 -0.130573D+01  0.448032D+00  0.499463D+01  0.204750D+01
                11            12            13            14            15 
      1   0.154397D+01 -0.101447D+01  0.534218D+00  0.494489D+01  0.105181D+01
      2  -0.127225D+01 -0.372849D+00  0.189488D+00 -0.965038D+01 -0.678664D+00
      3  -0.271723D+00  0.138732D+01 -0.723705D+00  0.470549D+01 -0.373147D+00
      4   0.490253D+01  0.998935D+00 -0.756005D+01  0.198107D+01 -0.734816D+00
      5   0.720097D+00  0.130625D+01 -0.584350D+00 -0.342441D+00  0.196124D+01
      6  -0.261554D+01 -0.699110D-01 -0.275254D+01  0.300958D+00 -0.385250D+01
                16            17            18            19            20 
      1  -0.621672D+01  0.188323D+01  0.530356D+01 -0.474364D+01  0.120619D+02
      2   0.312895D+00 -0.410302D+01  0.117319D+02 -0.100454D+00 -0.123555D+02
      3   0.590383D+01  0.221979D+01 -0.170354D+02  0.484410D+01  0.293675D+00
      4  -0.133022D+01 -0.924683D+00  0.129218D+01  0.496149D+01 -0.135793D+02
      5  -0.249830D+01 -0.197090D+00  0.951698D+01  0.123762D+00 -0.197177D+01
      6   0.571854D+00  0.114019D+01  0.100440D+01 -0.859399D+00  0.972500D-01
                21            22            23            24            25 
      1  -0.110220D+01  0.193909D+01  0.490380D+01 -0.492459D-01  0.200875D+00
      2  -0.258313D+01 -0.539632D+01 -0.169047D+02  0.108885D+01 -0.884771D+00
      3   0.368533D+01  0.345723D+01  0.120009D+02 -0.103961D+01  0.683896D+00
      4  -0.151524D+01 -0.252169D+02 -0.236455D+02  0.778808D-01 -0.256814D+00
      5  -0.727709D+01 -0.259520D+01 -0.122622D+01 -0.196086D+01  0.264410D+01
      6   0.159391D+01 -0.106169D+01 -0.199320D+01 -0.147106D+02 -0.444419D+00
                26            27            28            29            30 
      1  -0.312667D+01 -0.535256D+01  0.431757D+02 -0.896813D+01 -0.105456D+01
      2   0.166087D+01 -0.665183D+01 -0.266068D+02  0.291349D+01  0.203380D+01
      3   0.146580D+01  0.120044D+02 -0.165689D+02  0.605464D+01 -0.979237D+00
      4   0.323494D+01 -0.223201D+01 -0.209655D+02  0.181563D+02  0.161633D+01
      5  -0.164055D+01  0.356028D+01 -0.252848D+01  0.715226D+00  0.147500D+02
      6   0.404458D+01 -0.371618D+00  0.101784D+01 -0.397802D+00 -0.495563D+01
                31            32            33            34            35 
      1   0.545926D+01  0.109774D+02 -0.104332D+01 -0.542112D+00  0.897738D+00
      2  -0.728949D+01 -0.439765D+01  0.236398D+00  0.149060D+01 -0.963514D-01
      3   0.183023D+01 -0.657971D+01  0.806925D+00 -0.948492D+00 -0.801386D+00
      4   0.171882D+02 -0.445454D+01 -0.154766D+01  0.149126D+01 -0.195369D+01
      5  -0.543251D+00 -0.147208D+01 -0.342540D+01  0.139518D+02 -0.562945D+01
      6  -0.756812D+00  0.123434D+01  0.840713D+01 -0.205746D+01  0.530674D+01
                36            37            38            39            40 
      1   0.544490D+01  0.484612D+02  0.373494D+01  0.735081D+01  0.162185D+02
      2  -0.800709D+01 -0.249663D+02 -0.216125D+01 -0.341853D+01 -0.987300D+01
      3   0.256219D+01 -0.234949D+02 -0.157369D+01 -0.393227D+01 -0.634550D+01
      4  -0.543386D+01  0.581997D+00  0.116704D+02 -0.430195D+01  0.619341D+01
      5  -0.505035D+01  0.782710D+01 -0.310585D+01  0.289288D+01 -0.437331D+01
      6   0.137024D+01 -0.166744D+01 -0.584178D+00  0.151942D+01  0.192111D+01
                41            42            43            44            45 
      1   0.161365D+01 -0.289724D+01  0.994064D+01 -0.200906D+01 -0.513731D+01
      2   0.378855D+01  0.219065D+01 -0.793953D+01  0.154017D+01  0.178254D+01
      3  -0.540220D+01  0.706583D+00 -0.200111D+01  0.468885D+00  0.335477D+01
      4   0.609160D+01  0.336185D+01 -0.556086D+01  0.467985D+01  0.841585D+01
      5   0.349959D+01  0.101172D+02 -0.218172D+01  0.789466D+01  0.232434D+02
      6  -0.156646D+01  0.931417D+00  0.226592D+01  0.187593D+01 -0.547422D+01
                46            47            48            49            50 
      1   0.143450D+02  0.191885D+01  0.123598D+01  0.244726D+01 -0.174886D+02
      2  -0.139469D+02 -0.584031D+01  0.215861D+01 -0.659665D+01  0.274419D+02
      3  -0.398073D+00  0.392145D+01 -0.339459D+01  0.414939D+01 -0.995334D+01
      4  -0.820275D+01 -0.794823D+01  0.324833D+01 -0.776555D+00 -0.750098D+01
      5   0.200607D+01  0.188566D+01 -0.452220D-01  0.133779D+01  0.948042D+00
      6   0.504210D+01  0.367734D+01 -0.982258D+01  0.380841D+01  0.499321D+01
                51            52            53            54            55 
      1  -0.487458D+00 -0.113487D+01  0.197646D+00  0.107859D+01  0.104329D+02
      2   0.385539D+01  0.383624D+01  0.478585D+01 -0.114659D+01 -0.122836D+01
      3  -0.336793D+01 -0.270137D+01 -0.498349D+01  0.679954D-01 -0.920458D+01
      4   0.167921D+01  0.441320D+01  0.223016D+01 -0.102295D+02  0.177277D+02
      5  -0.258355D+01  0.686710D+00 -0.428493D+01 -0.382420D+01  0.141054D+01
      6   0.189626D+01 -0.113200D+02 -0.285638D+01 -0.121677D+02  0.809587D+00
                56            57            58            59            60 
      1   0.481608D+01 -0.179188D+00  0.742367D+01 -0.212866D+02 -0.696984D+00
      2   0.374026D+01  0.552418D+00  0.400141D+01  0.424838D+02 -0.355708D-01
      3  -0.855634D+01 -0.373231D+00 -0.114251D+02 -0.211971D+02  0.732554D+00
      4   0.225984D+02  0.900923D+00  0.272179D+02  0.474566D+02  0.120415D+01
      5   0.143484D+01  0.750411D+01  0.158004D+01  0.253299D+01  0.940516D+01
      6   0.867612D+00  0.414736D+01  0.151705D+01  0.183514D+01  0.179267D+02
                61            62            63            64            65 
      1   0.784252D+00 -0.176307D-01 -0.357415D+01  0.110665D+01 -0.177000D-01
      2   0.377883D+00 -0.532741D+00  0.279904D+01 -0.406518D+01 -0.746573D-01
      3  -0.116214D+01  0.550372D+00  0.775109D+00  0.295853D+01  0.923573D-01
      4   0.112035D+00 -0.428298D+00  0.111641D+02 -0.264904D+00  0.150269D+01
      5   0.907551D+01  0.113700D+02  0.191970D+00 -0.227642D+01 -0.687545D-01
      6   0.413451D+01  0.139775D+02  0.509515D+00 -0.300145D+00  0.524333D+00
                66            67            68            69            70 
      1  -0.378155D+00 -0.231051D+00 -0.398682D+01 -0.657366D+00  0.145230D+01
      2   0.193465D+01  0.123203D+01  0.578726D+00 -0.110970D+01  0.279045D+01
      3  -0.155650D+01 -0.100098D+01  0.340810D+01  0.176706D+01 -0.424274D+01
      4  -0.374306D+00  0.308112D+01 -0.455194D+00 -0.619538D+00  0.823507D+00
      5   0.731654D+01  0.748837D+00 -0.868208D+00 -0.137125D+01  0.594170D+01
      6   0.326348D+00 -0.300776D+00  0.829009D+00  0.694982D+01 -0.171467D+00
                71            72            73            74            75 
      1   0.801045D+00 -0.171650D+02  0.118343D+01  0.511680D+00  0.406592D+01
      2  -0.939045D+00 -0.166717D+02 -0.359672D+01 -0.250649D+00 -0.602147D+00
      3   0.137999D+00  0.338367D+02  0.241329D+01 -0.261030D+00 -0.346378D+01
      4  -0.385038D+00 -0.844147D+00  0.440391D+00  0.659943D+00 -0.117042D+01
      5  -0.308970D-01 -0.757664D+01  0.142751D+01 -0.234936D+00  0.509064D+01
      6   0.439429D+01 -0.194399D+01 -0.718552D+00 -0.865268D+00  0.545607D+00
                76            77            78            79            80 
      1   0.206356D+01 -0.445868D+01 -0.643219D-01  0.536700D+01  0.162590D+01
      2  -0.146804D+01  0.204816D+01 -0.124006D+01 -0.270275D+01 -0.636947D+00
      3  -0.595527D+00  0.241052D+01  0.130438D+01 -0.266425D+01 -0.988954D+00
      4   0.308863D+00 -0.459269D+00  0.257416D+01 -0.209053D+01  0.269230D+01
      5  -0.269654D+00  0.232096D+01  0.196277D+01  0.470173D+01 -0.155227D+01
      6   0.228051D+00 -0.508893D+00  0.516799D+01 -0.158791D+00  0.580990D+01
                81            82            83            84            85 
      1  -0.196161D+02 -0.641447D+00 -0.416579D+01 -0.767820D+00 -0.515014D+01
      2  -0.121055D+02  0.322383D+01  0.307381D+01  0.693732D+00  0.317001D+01
      3   0.317216D+02 -0.258239D+01  0.109198D+01  0.740881D-01  0.198013D+01
      4  -0.710995D-01 -0.124897D+01  0.415993D+01  0.502650D+00  0.514979D+01
      5   0.193163D+02 -0.541177D+00 -0.989275D-01  0.861282D+00 -0.190124D+00
      6  -0.100378D+02  0.669468D+00 -0.313535D+00  0.565890D+00  0.144395D+00
                86            87            88            89            90 
      1  -0.193194D+02 -0.282329D+00 -0.260341D+01 -0.257808D+01 -0.475708D+01
      2   0.324413D+02  0.205816D+01  0.163605D+01  0.410150D+01  0.265374D+01
      3  -0.131219D+02 -0.177583D+01  0.967366D+00 -0.152343D+01  0.210334D+01
      4  -0.180759D+02 -0.810200D+00  0.720699D+00 -0.325048D+01 -0.195586D+01
      5  -0.707565D+00 -0.212261D+01  0.672935D+00 -0.251687D+01  0.210689D+00
      6   0.446743D-01  0.519910D+01  0.257518D+00  0.606836D+01  0.134044D+01
                91            92            93            94            95 
      1  -0.118372D+02 -0.262415D+01  0.167505D+00 -0.141249D+02 -0.681337D+01
      2   0.104972D+02 -0.227514D+00 -0.173834D+00  0.773115D+01  0.112294D+02
      3   0.134002D+01  0.285166D+01  0.632891D-02  0.639374D+01 -0.441601D+01
      4  -0.142131D+01  0.428997D+00 -0.512263D+00  0.838797D+01 -0.172088D+02
      5   0.983528D+00  0.301448D+00 -0.176577D+01  0.119618D+01  0.164278D+00
      6  -0.564472D+00 -0.170599D+00 -0.214831D+01 -0.313602D+00  0.472443D+00
                96            97            98            99           100 
      1   0.346612D+00  0.125063D+01  0.233091D-01 -0.104239D+01 -0.768887D+00
      2  -0.288607D+00 -0.872884D+00 -0.157418D+00  0.251963D+00  0.112744D+01
      3  -0.580048D-01 -0.377742D+00  0.134109D+00  0.790426D+00 -0.358549D+00
      4  -0.701083D+00 -0.363923D+00  0.519747D-01 -0.274000D+01  0.235759D+01
      5  -0.406663D+01  0.267608D+01 -0.254025D+01  0.137733D-01  0.251831D+01
      6   0.173973D+01 -0.161587D+01  0.294537D+01  0.128393D+00  0.270333D+01
               101           102           103           104           105 
      1  -0.116486D+01 -0.812539D+00  0.183771D-02 -0.361093D+01 -0.183330D+01
      2   0.220819D+01  0.578872D+00  0.706729D+00  0.448636D+01  0.245690D+01
      3  -0.104333D+01  0.233667D+00 -0.708567D+00 -0.875428D+00 -0.623598D+00
      4   0.493255D+01  0.303021D+01  0.439128D+01  0.296492D+01  0.279522D+01
      5   0.171014D+01  0.417124D+01  0.853566D+00  0.182509D+01  0.159458D+01
      6   0.325108D+01  0.561917D+01  0.289694D+01  0.354763D+01  0.668974D+01
               106           107           108           109           110 
      1  -0.142129D+00 -0.604808D+01 -0.853641D+01  0.198195D+00 -0.409362D+01
      2  -0.100088D+01  0.497608D+01 -0.204974D+01  0.598440D+01  0.107019D+02
      3   0.114301D+01  0.107200D+01  0.105862D+02 -0.618259D+01 -0.660826D+01
      4   0.565379D+01  0.541925D+01  0.668304D+01  0.129642D+02  0.148935D+02
      5   0.428869D+01  0.344837D+01  0.793460D+01 -0.413762D+01 -0.348598D+01
      6   0.705208D+01  0.989804D+01  0.221298D+02 -0.680532D+01 -0.689261D+01
               111           112           113           114           115 
      1   0.386558D+00 -0.245309D+01 -0.648813D+01  0.168532D+01  0.187187D+01
      2  -0.305334D+01  0.790802D+01  0.144044D+02 -0.435193D+01 -0.366897D+01
      3   0.266678D+01 -0.545494D+01 -0.791623D+01  0.266661D+01  0.179710D+01
      4  -0.574447D+01  0.133035D+02  0.119319D+02 -0.474964D+01 -0.864765D+01
      5   0.456371D+01 -0.175292D+01 -0.308122D+01  0.185102D+01  0.453621D+01
      6   0.695786D+01 -0.571541D+01 -0.724456D+01  0.622444D+01  0.755948D+01
               116           117           118           119           120 
      1   0.417772D+01 -0.334843D+01  0.149281D+02 -0.363892D+01 -0.832316D+01
      2  -0.662826D+01  0.276041D+01 -0.872498D+01  0.187310D+01  0.535324D+01
      3   0.245054D+01  0.588022D+00 -0.620315D+01  0.176582D+01  0.296992D+01
      4  -0.760984D+01  0.686442D+01 -0.566994D+01  0.495743D+01  0.385151D+01
      5   0.387628D+01 -0.400013D+01 -0.983351D+01  0.302972D+01  0.123107D+02
      6   0.944846D+01 -0.797952D+01  0.269802D+01 -0.759542D+00 -0.181145D+01
               121           122           123           124           125 
      1  -0.601927D+01  0.268163D+01  0.358511D+01 -0.154023D+02  0.260425D+01
      2   0.259731D+01 -0.824703D+00 -0.183490D+01  0.113561D+02 -0.220518D+01
      3   0.342196D+01 -0.185693D+01 -0.175021D+01  0.404620D+01 -0.399078D+00
      4   0.790680D+01 -0.554789D+01 -0.670006D+01  0.784665D+01 -0.787731D+01
      5   0.590200D+01 -0.579046D+01 -0.972768D+01  0.189213D+02 -0.787521D+01
      6  -0.295383D+01  0.259263D+01  0.504575D+01 -0.462204D+01  0.362783D+01
               126 
      1   0.868806D+01
      2  -0.111440D+02
      3   0.245591D+01
      4  -0.936382D+01
      5  -0.289810D+02
      6   0.685447D+01
 Leave Link  716 at Thu Aug 12 19:45:11 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.681343D+02  0.145581D+00 -0.184437D+01
      2   0.145581D+00  0.661288D+02  0.357033D+00
      3  -0.184437D+01  0.357033D+00  0.495217D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.149226D+00 -0.194054D+01 -0.180725D+01
      2   0.326360D-01 -0.558123D+00  0.138358D+02
      3   0.587583D+01  0.606061D+01  0.182874D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.241028D+02 -0.385313D+01 -0.253819D+01
      2  -0.191556D+02  0.458627D+01  0.110780D+01
      3  -0.494717D+01 -0.733140D+00  0.143039D+01
      4   0.487723D+01 -0.102118D+02 -0.155886D+01
      5  -0.356111D+01 -0.408419D+01  0.306354D+02
      6  -0.125159D+01 -0.416471D+00  0.674734D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.133889D+00 -0.173333D+01  0.817358D+00 -0.341653D+01  0.135856D+01
      2  -0.173333D+01  0.272376D+01 -0.321293D+00  0.135856D+01  0.482227D+01
      3   0.817358D+00 -0.321293D+00  0.196599D+01 -0.396323D+00  0.112325D+01
                 6             7             8             9            10 
      1  -0.396323D+00  0.217831D+01 -0.609720D+00  0.110359D+01  0.169080D+00
      2   0.112325D+01 -0.609720D+00  0.175543D+01  0.442830D-01  0.322045D+01
      3  -0.447811D+00  0.110359D+01  0.442830D-01 -0.799177D+01 -0.819715D+00
                11            12            13            14            15 
      1   0.322045D+01 -0.819715D+00  0.243895D+01 -0.151785D+00 -0.483604D-01
      2  -0.214045D+01  0.597322D+00 -0.151785D+00 -0.356145D+01 -0.741911D+00
      3   0.597322D+00 -0.716499D+00 -0.483604D-01 -0.741911D+00  0.965835D+00
                16            17            18            19            20 
      1  -0.113362D+01  0.120322D+01 -0.114536D+01 -0.246472D+01 -0.231217D+01
      2   0.120322D+01 -0.138659D+01  0.468200D+00 -0.231217D+01  0.158850D+01
      3  -0.114536D+01  0.468200D+00  0.753121D+01 -0.218515D-01  0.184502D+00
                21            22            23            24            25 
      1  -0.218515D-01  0.692090D-01  0.305699D+01  0.334774D+00 -0.133098D+01
      2   0.184502D+00  0.305699D+01  0.660717D+01 -0.657426D-02  0.420466D+00
      3  -0.539326D+00  0.334774D+00 -0.657426D-02  0.483593D+00 -0.199649D+00
                26            27            28            29            30 
      1   0.420466D+00 -0.199649D+00 -0.832486D+01  0.186852D+01  0.530521D+00
      2   0.654684D+00  0.127757D+00  0.186852D+01 -0.275343D+01 -0.265709D+00
      3   0.127757D+00 -0.362388D+00  0.530521D+00 -0.265709D+00 -0.970470D+00
                31            32            33            34            35 
      1  -0.166235D+01 -0.426004D+01  0.206495D-01  0.191335D+01 -0.262684D+00
      2  -0.426004D+01 -0.121646D+01  0.239684D+00 -0.262684D+00  0.180194D+00
      3   0.206495D-01  0.239684D+00  0.517610D+00 -0.182680D+01  0.124720D+01
                36            37            38            39            40 
      1  -0.182680D+01  0.707012D+01  0.526485D+00  0.133589D+01  0.292507D+01
      2   0.124720D+01  0.526485D+00  0.164281D-01 -0.378937D+00  0.487993D+00
      3   0.937303D+00  0.133589D+01 -0.378937D+00 -0.166007D+01 -0.727996D+00
                41            42            43            44            45 
      1   0.487993D+00 -0.727996D+00  0.300299D+01 -0.541551D+00 -0.965057D+00
      2   0.113019D+01  0.285369D+00 -0.541551D+00  0.914607D+00  0.132943D+01
      3   0.285369D+00  0.181207D+01 -0.965057D+00  0.132943D+01  0.442851D+01
                46            47            48            49            50 
      1  -0.215023D+01 -0.249901D+01  0.107563D+01 -0.131037D+01 -0.202540D+01
      2  -0.249901D+01 -0.194669D+01  0.131786D+00 -0.202540D+01  0.446697D+01
      3   0.107563D+01  0.131786D+00 -0.229624D+01  0.424308D+00  0.704464D+00
                51            52            53            54            55 
      1   0.424308D+00  0.139994D+01  0.448253D+00 -0.234814D+01 -0.199053D+01
      2   0.704464D+00  0.448253D+00  0.813752D+00 -0.117540D+01 -0.319689D+01
      3  -0.885824D+00 -0.234814D+01 -0.117540D+01 -0.403783D+01 -0.876072D-01
                56            57            58            59            60 
      1  -0.319689D+01 -0.876072D-01 -0.462607D+01 -0.302460D+01 -0.105055D+00
      2  -0.283033D+01 -0.262678D+00 -0.302460D+01 -0.131582D+02 -0.112411D+00
      3  -0.262678D+00 -0.283453D+00 -0.105055D+00 -0.112411D+00 -0.242993D+01
                61            62            63            64            65 
      1   0.264898D-01 -0.800711D-01 -0.114062D+01  0.392025D+00 -0.457624D+00
      2  -0.800711D-01 -0.852399D-01 -0.320359D+01 -0.457624D+00  0.489910D+00
      3  -0.114062D+01 -0.320359D+01 -0.449538D-01 -0.114532D+01 -0.588385D-01
                66            67            68            69            70 
      1  -0.114532D+01 -0.125568D+01  0.388885D+00  0.168596D+00 -0.172004D+01
      2  -0.588385D-01  0.388885D+00  0.459273D+00 -0.109140D+01 -0.179745D+00
      3   0.118238D+01  0.168596D+00 -0.109140D+01 -0.630015D+00  0.941120D+00
                71            72            73            74            75 
      1  -0.179745D+00  0.941120D+00  0.103003D+00  0.240695D+00  0.913664D+00
      2  -0.148954D+01 -0.959445D-01  0.240695D+00 -0.322790D+00  0.942948D-01
      3  -0.959445D-01 -0.866611D+01  0.913664D+00  0.942948D-01 -0.768007D+00
                76            77            78            79            80 
      1   0.949692D+00 -0.106423D+00 -0.306077D-01  0.167173D+01 -0.237475D+00
      2  -0.106423D+00 -0.422751D+00  0.102384D+01 -0.237475D+00  0.134296D+01
      3  -0.306077D-01  0.102384D+01  0.778660D+00  0.915243D-01 -0.690875D+00
                81            82            83            84            85 
      1   0.915243D-01 -0.843601D+00 -0.861291D+00 -0.355430D+00 -0.146751D+01
      2  -0.690875D+00 -0.861291D+00 -0.390873D+00  0.725285D-01  0.154749D-01
      3   0.876125D+01 -0.355430D+00  0.725285D-01 -0.180169D+00  0.364960D-02
                86            87            88            89            90 
      1   0.154749D-01  0.364960D-02 -0.112907D+01  0.103405D+00 -0.991707D-01
      2  -0.864598D+01 -0.417983D+00  0.103405D+00 -0.140209D+01 -0.114498D+01
      3  -0.417983D+00 -0.106955D+01 -0.991707D-01 -0.114498D+01  0.924237D-01
                91            92            93            94            95 
      1   0.200006D+01  0.212896D+01 -0.280493D+00  0.500768D+01  0.226964D+00
      2   0.212896D+01  0.513847D+00  0.127683D+00  0.226964D+00  0.520535D+01
      3  -0.280493D+00  0.127683D+00 -0.368458D+00 -0.280425D+00  0.192770D+00
                96            97            98            99           100 
      1  -0.280425D+00 -0.480137D+00 -0.134495D+00 -0.641938D+00  0.328748D+00
      2   0.192770D+00 -0.134495D+00 -0.528907D-01  0.660528D+00  0.899719D+00
      3   0.921821D+00 -0.641938D+00  0.660528D+00  0.129071D+00  0.769375D+00
               101           102           103           104           105 
      1   0.899719D+00  0.769375D+00  0.808588D+00  0.393299D+00  0.508834D+00
      2   0.717619D+00  0.790629D+00  0.393299D+00  0.141428D+01  0.796447D+00
      3   0.790629D+00  0.127965D+01  0.508834D+00  0.796447D+00  0.885745D+00
               106           107           108           109           110 
      1   0.190540D+01  0.642472D+00  0.175910D+01  0.309192D+01  0.275276D+01
      2   0.642472D+00  0.270076D+01  0.210456D+01  0.275276D+01  0.353344D+01
      3   0.175910D+01  0.210456D+01  0.606655D+01 -0.118910D+01 -0.107751D+01
               111           112           113           114           115 
      1  -0.118910D+01  0.303694D+01  0.251659D+01 -0.914850D+00 -0.251161D+01
      2  -0.107751D+01  0.251659D+01  0.384403D+01 -0.105183D+01 -0.163180D+01
      3   0.146039D+01 -0.914850D+00 -0.105183D+01  0.114055D+01  0.148778D+01
               116           117           118           119           120 
      1  -0.163180D+01  0.148778D+01  0.275288D+01 -0.577274D+00 -0.154293D+01
      2  -0.250404D+01  0.161602D+01 -0.577274D+00  0.801054D+00  0.366221D+00
      3   0.161602D+01 -0.172220D+01 -0.154293D+01  0.366221D+00  0.189427D+01
               121           122           123           124           125 
      1  -0.149762D+01  0.112349D+01  0.104281D+01 -0.379275D+01  0.859721D+00
      2   0.112349D+01 -0.944725D+00 -0.943718D+00  0.859721D+00 -0.144200D+01
      3   0.104281D+01 -0.943718D+00 -0.204276D+01  0.298361D+01 -0.128720D+01
               126 
      1   0.298361D+01
      2  -0.128720D+01
      3  -0.512108D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.182826D+01  0.297033D+00  0.965246D+00 -0.176913D+01  0.797765D+01
      2   0.130932D+01  0.596240D-01  0.102193D+01 -0.141374D+01  0.660358D+00
      3   0.146863D+01  0.218888D+01 -0.684232D+00  0.715674D+01 -0.897647D+01
                 6             7             8             9            10 
      1  -0.174027D+01  0.935934D-01  0.222577D+01 -0.580437D+01 -0.100211D+01
      2  -0.559216D+00 -0.307164D+01  0.760845D+00 -0.745489D+01  0.401889D+01
      3  -0.865306D+00 -0.238762D+01 -0.188901D+01 -0.385352D+00  0.178154D+01
                11            12            13            14            15 
      1   0.868245D+00 -0.727268D+00  0.100562D+01  0.148516D+00 -0.376160D+00
      2  -0.138940D+01  0.284063D+01  0.203745D+01 -0.221352D+01  0.121812D+01
      3  -0.519542D+01  0.688009D+00 -0.215869D+01  0.146154D+01  0.919447D+00
                16            17            18            19            20 
      1  -0.111055D+01  0.474393D+01  0.224665D-01  0.774235D+00  0.103431D+01
      2  -0.365028D+01  0.272916D+00  0.163488D+01 -0.591474D+01  0.372422D+00
      3  -0.406935D+00  0.116717D+01  0.698103D+00 -0.697867D+01  0.758549D+00
                21            22            23            24            25 
      1   0.276493D+00  0.167678D+01 -0.415326D+00  0.967821D+01 -0.333030D+00
      2  -0.540231D+01 -0.885459D+00  0.178318D+01 -0.174038D+01 -0.189892D+02
      3  -0.286199D+00  0.227249D-02  0.107555D+02 -0.175348D+01  0.297016D+01
                26            27            28            29            30 
      1   0.991252D+01  0.602051D+00 -0.103184D+01 -0.104116D+01  0.289197D+01
      2  -0.145532D+01  0.405803D+01  0.616202D+00  0.274465D+00  0.781969D+01
      3  -0.243707D+01  0.938996D+00 -0.531679D+01 -0.160753D+02  0.150236D+00
                31            32            33            34            35 
      1  -0.549470D+00 -0.920511D+00 -0.403765D+01  0.781088D+00  0.218978D+01
      2   0.101226D+01 -0.811910D-01 -0.891903D+00  0.558042D+01 -0.965571D+00
      3  -0.124915D+02 -0.111405D+02  0.343031D+00  0.958922D-01  0.224799D+01
                36            37            38            39            40 
      1  -0.670987D+00 -0.356015D+00 -0.202845D+00  0.348561D+00  0.170657D+01
      2  -0.275688D+01  0.215087D+01 -0.183378D+01  0.190404D+01 -0.193246D+01
      3   0.182314D+01 -0.704884D+01 -0.824538D+01  0.193363D+01  0.990116D+00
                41            42            43            44            45 
      1  -0.955831D+00 -0.246295D+01  0.217824D+01  0.120314D+01  0.105160D+01
      2   0.129974D+01  0.596512D+01 -0.792902D+01  0.397719D+01  0.133942D+02
      3  -0.560502D+01 -0.214337D+01  0.186519D+01 -0.282455D+01 -0.489282D+01
                46            47            48            49            50 
      1  -0.240314D+01 -0.118357D+01  0.567279D+01 -0.236719D+01 -0.411783D+01
      2  -0.213310D+00  0.183554D+01  0.364427D+01  0.879883D+00  0.798681D+00
      3  -0.516482D+01 -0.125980D+02  0.145363D+01  0.180533D+01 -0.249097D+01
                51            52            53            54            55 
      1  -0.257140D+01  0.636103D+01  0.801362D+01  0.796619D+01  0.185997D+00
      2  -0.927970D+00 -0.327328D+01 -0.880723D+00  0.316368D+00  0.250595D+00
      3   0.706500D+00  0.352164D+01  0.137799D+01 -0.540076D+01  0.139230D+00
                56            57            58            59            60 
      1  -0.221032D-01 -0.308470D+01  0.147967D-01  0.120509D+01 -0.114009D+02
      2   0.205648D+00  0.484977D+01 -0.174028D+01 -0.872981D+00  0.450385D+01
      3  -0.581027D+01 -0.311810D+00  0.104606D+02 -0.183775D+02  0.424962D+00
                61            62            63            64            65 
      1  -0.416353D+00  0.866279D+00  0.188309D+00  0.119595D+00 -0.953916D+00
      2   0.281020D+01  0.453580D+01 -0.108392D+01  0.219713D+00 -0.513620D-01
      3  -0.157307D+01  0.394942D+00 -0.460674D+01  0.189702D+00 -0.744828D+00
                66            67            68            69            70 
      1   0.218229D+00 -0.562371D+00 -0.591925D+00 -0.436201D+00  0.221304D+00
      2   0.112535D+01 -0.316421D+00  0.441956D+00 -0.708435D+00 -0.237203D+01
      3  -0.191350D+00  0.155723D+01 -0.373884D+00  0.189249D+00  0.201260D-01
                71            72            73            74            75 
      1   0.316227D+01  0.995259D+00  0.973008D+00 -0.550903D+00 -0.228908D+00
      2  -0.198335D+00 -0.145764D+01  0.124635D+01  0.224344D-01  0.418917D-01
      3   0.401827D+00  0.235517D+00 -0.134447D+00 -0.724915D+00 -0.816770D+00
                76            77            78            79            80 
      1  -0.255011D+00  0.372941D+00 -0.933236D-02  0.103247D+00  0.328567D+01
      2  -0.401559D+00  0.147399D+01  0.879921D+00 -0.395163D+01 -0.591318D+00
      3   0.435666D-01  0.540856D+00 -0.106276D+01 -0.113060D+01 -0.131657D+01
                81            82            83            84            85 
      1   0.683290D+01 -0.120924D+01 -0.718358D-02 -0.354055D+00 -0.666039D-01
      2   0.100542D+02 -0.162536D+00  0.342711D+00  0.542044D+00  0.380785D+00
      3   0.576194D+00  0.365741D+01  0.123151D+01  0.630628D+00  0.538390D+01
                86            87            88            89            90 
      1  -0.457996D+01 -0.402884D+01  0.110442D+00 -0.124311D+01 -0.649296D+00
      2   0.212401D+00 -0.896660D+00 -0.849483D+00 -0.104411D+01  0.143111D+00
      3   0.105460D+02  0.567072D+00  0.185976D+01  0.165668D+01  0.111702D+01
                91            92            93            94            95 
      1   0.103926D+01  0.737642D+00  0.103652D+01  0.763695D+00  0.121710D+01
      2  -0.629572D+00 -0.712928D+00 -0.147296D+01 -0.370840D+00 -0.845414D+00
      3   0.833934D+01  0.102593D+02 -0.293795D+00  0.136955D+02  0.176275D+02
                96            97            98            99           100 
      1  -0.120999D+01  0.959355D+00  0.105600D+01  0.139564D+00 -0.145874D+01
      2  -0.227572D+01 -0.204431D+01 -0.195227D+01  0.877780D-01 -0.600355D+00
      3   0.279854D+00 -0.828946D+00 -0.108155D+01 -0.323436D-01  0.683508D+00
               101           102           103           104           105 
      1  -0.864856D+00 -0.327538D+01 -0.809035D+00 -0.192203D+01 -0.250911D+01
      2   0.167141D+00  0.501216D+00 -0.852857D-02 -0.116558D+00  0.442830D+00
      3   0.109621D+01  0.975840D+00  0.205630D+01  0.539132D+00  0.900917D+00
               106           107           108           109           110 
      1  -0.457722D+01 -0.237592D+01 -0.129061D+02  0.252930D+01  0.228332D+01
      2  -0.229092D+01  0.687200D+00  0.779035D+00  0.933401D+00 -0.273174D+00
      3   0.404640D+01  0.153878D+00  0.364019D+01  0.719442D+01  0.326872D+01
               111           112           113           114           115 
      1  -0.395608D+01  0.219960D+01  0.206682D+01 -0.281758D+01 -0.339110D+01
      2   0.108264D+01  0.598408D-01  0.156575D+00  0.832645D+00 -0.935116D+00
      3  -0.239023D+01  0.712375D+01  0.348201D+01 -0.195096D+01 -0.626441D+01
               116           117           118           119           120 
      1  -0.209668D+01  0.322491D+01  0.114339D-01 -0.394019D+00  0.216597D+00
      2   0.412893D+00 -0.864205D+00 -0.414683D+01  0.115943D+01  0.626257D+01
      3  -0.246082D+01  0.276608D+01  0.111690D+01 -0.247404D+01 -0.103596D+01
               121           122           123           124           125 
      1  -0.662445D-01  0.336531D+00 -0.838553D+00 -0.907142D+00  0.212169D+01
      2   0.269907D+01 -0.269723D+01 -0.584220D+01  0.689889D+01 -0.363155D+01
      3  -0.155771D+01  0.208419D+01  0.252307D+01 -0.178758D+01  0.460909D+01
               126 
      1  -0.814089D+00
      2  -0.159283D+02
      3   0.352276D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.212616D+02  0.279901D+00 -0.203384D+01 -0.820602D+01  0.142452D+02
      2   0.974915D+01 -0.242562D+01 -0.187190D+01  0.328147D+01 -0.189533D+02
      3   0.115124D+02  0.214572D+01  0.390574D+01  0.492455D+01  0.470802D+01
      4  -0.138864D+01 -0.120634D+01 -0.173204D+00  0.855890D+01  0.706755D+01
      5   0.124703D+01 -0.473875D+00 -0.215756D+01 -0.130960D+01  0.219725D+01
      6  -0.407251D+01  0.418145D+01 -0.246768D+01  0.149433D+01 -0.417988D+01
                 6             7             8             9            10 
      1   0.110470D+01  0.640353D+01  0.133065D+01  0.149998D+02 -0.373273D+01
      2  -0.187088D+01 -0.350082D+01 -0.200353D+01  0.278233D+01  0.723086D+01
      3   0.766183D+00 -0.290271D+01  0.672879D+00 -0.177822D+02 -0.349813D+01
      4   0.232617D+01 -0.281115D+01  0.412085D+01 -0.154921D+01  0.274286D+00
      5  -0.163402D+01  0.471751D+01 -0.176188D+00 -0.164000D+02 -0.709899D-01
      6   0.190671D+01 -0.130573D+01  0.448032D+00  0.499463D+01  0.204750D+01
                11            12            13            14            15 
      1   0.154397D+01 -0.101447D+01  0.534218D+00  0.494489D+01  0.105181D+01
      2  -0.127225D+01 -0.372849D+00  0.189488D+00 -0.965038D+01 -0.678664D+00
      3  -0.271723D+00  0.138732D+01 -0.723705D+00  0.470549D+01 -0.373147D+00
      4   0.490253D+01  0.998935D+00 -0.756005D+01  0.198107D+01 -0.734816D+00
      5   0.720097D+00  0.130625D+01 -0.584350D+00 -0.342441D+00  0.196124D+01
      6  -0.261554D+01 -0.699110D-01 -0.275254D+01  0.300958D+00 -0.385250D+01
                16            17            18            19            20 
      1  -0.621672D+01  0.188323D+01  0.530356D+01 -0.474364D+01  0.120619D+02
      2   0.312895D+00 -0.410302D+01  0.117319D+02 -0.100454D+00 -0.123555D+02
      3   0.590383D+01  0.221979D+01 -0.170354D+02  0.484410D+01  0.293675D+00
      4  -0.133022D+01 -0.924683D+00  0.129218D+01  0.496149D+01 -0.135793D+02
      5  -0.249830D+01 -0.197090D+00  0.951698D+01  0.123762D+00 -0.197177D+01
      6   0.571854D+00  0.114019D+01  0.100440D+01 -0.859399D+00  0.972500D-01
                21            22            23            24            25 
      1  -0.110220D+01  0.193909D+01  0.490380D+01 -0.492459D-01  0.200875D+00
      2  -0.258313D+01 -0.539632D+01 -0.169047D+02  0.108885D+01 -0.884771D+00
      3   0.368533D+01  0.345723D+01  0.120009D+02 -0.103961D+01  0.683896D+00
      4  -0.151524D+01 -0.252169D+02 -0.236455D+02  0.778808D-01 -0.256814D+00
      5  -0.727709D+01 -0.259520D+01 -0.122622D+01 -0.196086D+01  0.264410D+01
      6   0.159391D+01 -0.106169D+01 -0.199320D+01 -0.147106D+02 -0.444419D+00
                26            27            28            29            30 
      1  -0.312667D+01 -0.535256D+01  0.431757D+02 -0.896813D+01 -0.105456D+01
      2   0.166087D+01 -0.665183D+01 -0.266068D+02  0.291349D+01  0.203380D+01
      3   0.146580D+01  0.120044D+02 -0.165689D+02  0.605464D+01 -0.979237D+00
      4   0.323494D+01 -0.223201D+01 -0.209655D+02  0.181563D+02  0.161633D+01
      5  -0.164055D+01  0.356028D+01 -0.252848D+01  0.715226D+00  0.147500D+02
      6   0.404458D+01 -0.371618D+00  0.101784D+01 -0.397802D+00 -0.495563D+01
                31            32            33            34            35 
      1   0.545926D+01  0.109774D+02 -0.104332D+01 -0.542112D+00  0.897738D+00
      2  -0.728949D+01 -0.439765D+01  0.236398D+00  0.149060D+01 -0.963514D-01
      3   0.183023D+01 -0.657971D+01  0.806925D+00 -0.948492D+00 -0.801386D+00
      4   0.171882D+02 -0.445454D+01 -0.154766D+01  0.149126D+01 -0.195369D+01
      5  -0.543251D+00 -0.147208D+01 -0.342540D+01  0.139518D+02 -0.562945D+01
      6  -0.756812D+00  0.123434D+01  0.840713D+01 -0.205746D+01  0.530674D+01
                36            37            38            39            40 
      1   0.544490D+01  0.484612D+02  0.373494D+01  0.735081D+01  0.162185D+02
      2  -0.800709D+01 -0.249663D+02 -0.216125D+01 -0.341853D+01 -0.987300D+01
      3   0.256219D+01 -0.234949D+02 -0.157369D+01 -0.393227D+01 -0.634550D+01
      4  -0.543386D+01  0.581997D+00  0.116704D+02 -0.430195D+01  0.619341D+01
      5  -0.505035D+01  0.782710D+01 -0.310585D+01  0.289288D+01 -0.437331D+01
      6   0.137024D+01 -0.166744D+01 -0.584178D+00  0.151942D+01  0.192111D+01
                41            42            43            44            45 
      1   0.161365D+01 -0.289724D+01  0.994064D+01 -0.200906D+01 -0.513731D+01
      2   0.378855D+01  0.219065D+01 -0.793953D+01  0.154017D+01  0.178254D+01
      3  -0.540220D+01  0.706583D+00 -0.200111D+01  0.468885D+00  0.335477D+01
      4   0.609160D+01  0.336185D+01 -0.556086D+01  0.467985D+01  0.841585D+01
      5   0.349959D+01  0.101172D+02 -0.218172D+01  0.789466D+01  0.232434D+02
      6  -0.156646D+01  0.931417D+00  0.226592D+01  0.187593D+01 -0.547422D+01
                46            47            48            49            50 
      1   0.143450D+02  0.191885D+01  0.123598D+01  0.244726D+01 -0.174886D+02
      2  -0.139469D+02 -0.584031D+01  0.215861D+01 -0.659665D+01  0.274419D+02
      3  -0.398073D+00  0.392145D+01 -0.339459D+01  0.414939D+01 -0.995334D+01
      4  -0.820275D+01 -0.794823D+01  0.324833D+01 -0.776555D+00 -0.750098D+01
      5   0.200607D+01  0.188566D+01 -0.452220D-01  0.133779D+01  0.948042D+00
      6   0.504210D+01  0.367734D+01 -0.982258D+01  0.380841D+01  0.499321D+01
                51            52            53            54            55 
      1  -0.487458D+00 -0.113487D+01  0.197646D+00  0.107859D+01  0.104329D+02
      2   0.385539D+01  0.383624D+01  0.478585D+01 -0.114659D+01 -0.122836D+01
      3  -0.336793D+01 -0.270137D+01 -0.498349D+01  0.679954D-01 -0.920458D+01
      4   0.167921D+01  0.441320D+01  0.223016D+01 -0.102295D+02  0.177277D+02
      5  -0.258355D+01  0.686710D+00 -0.428493D+01 -0.382420D+01  0.141054D+01
      6   0.189626D+01 -0.113200D+02 -0.285638D+01 -0.121677D+02  0.809587D+00
                56            57            58            59            60 
      1   0.481608D+01 -0.179188D+00  0.742367D+01 -0.212866D+02 -0.696984D+00
      2   0.374026D+01  0.552418D+00  0.400141D+01  0.424838D+02 -0.355708D-01
      3  -0.855634D+01 -0.373231D+00 -0.114251D+02 -0.211971D+02  0.732554D+00
      4   0.225984D+02  0.900923D+00  0.272179D+02  0.474566D+02  0.120415D+01
      5   0.143484D+01  0.750411D+01  0.158004D+01  0.253299D+01  0.940516D+01
      6   0.867612D+00  0.414736D+01  0.151705D+01  0.183514D+01  0.179267D+02
                61            62            63            64            65 
      1   0.784252D+00 -0.176307D-01 -0.357415D+01  0.110665D+01 -0.177000D-01
      2   0.377883D+00 -0.532741D+00  0.279904D+01 -0.406518D+01 -0.746573D-01
      3  -0.116214D+01  0.550372D+00  0.775109D+00  0.295853D+01  0.923573D-01
      4   0.112035D+00 -0.428298D+00  0.111641D+02 -0.264904D+00  0.150269D+01
      5   0.907551D+01  0.113700D+02  0.191970D+00 -0.227642D+01 -0.687545D-01
      6   0.413451D+01  0.139775D+02  0.509515D+00 -0.300145D+00  0.524333D+00
                66            67            68            69            70 
      1  -0.378155D+00 -0.231051D+00 -0.398682D+01 -0.657366D+00  0.145230D+01
      2   0.193465D+01  0.123203D+01  0.578726D+00 -0.110970D+01  0.279045D+01
      3  -0.155650D+01 -0.100098D+01  0.340810D+01  0.176706D+01 -0.424274D+01
      4  -0.374306D+00  0.308112D+01 -0.455194D+00 -0.619538D+00  0.823507D+00
      5   0.731654D+01  0.748837D+00 -0.868208D+00 -0.137125D+01  0.594170D+01
      6   0.326348D+00 -0.300776D+00  0.829009D+00  0.694982D+01 -0.171467D+00
                71            72            73            74            75 
      1   0.801045D+00 -0.171650D+02  0.118343D+01  0.511680D+00  0.406592D+01
      2  -0.939045D+00 -0.166717D+02 -0.359672D+01 -0.250649D+00 -0.602147D+00
      3   0.137999D+00  0.338367D+02  0.241329D+01 -0.261030D+00 -0.346378D+01
      4  -0.385038D+00 -0.844147D+00  0.440391D+00  0.659943D+00 -0.117042D+01
      5  -0.308970D-01 -0.757664D+01  0.142751D+01 -0.234936D+00  0.509064D+01
      6   0.439429D+01 -0.194399D+01 -0.718552D+00 -0.865268D+00  0.545607D+00
                76            77            78            79            80 
      1   0.206356D+01 -0.445868D+01 -0.643219D-01  0.536700D+01  0.162590D+01
      2  -0.146804D+01  0.204816D+01 -0.124006D+01 -0.270275D+01 -0.636947D+00
      3  -0.595527D+00  0.241052D+01  0.130438D+01 -0.266425D+01 -0.988954D+00
      4   0.308863D+00 -0.459269D+00  0.257416D+01 -0.209053D+01  0.269230D+01
      5  -0.269654D+00  0.232096D+01  0.196277D+01  0.470173D+01 -0.155227D+01
      6   0.228051D+00 -0.508893D+00  0.516799D+01 -0.158791D+00  0.580990D+01
                81            82            83            84            85 
      1  -0.196161D+02 -0.641447D+00 -0.416579D+01 -0.767820D+00 -0.515014D+01
      2  -0.121055D+02  0.322383D+01  0.307381D+01  0.693732D+00  0.317001D+01
      3   0.317216D+02 -0.258239D+01  0.109198D+01  0.740881D-01  0.198013D+01
      4  -0.710995D-01 -0.124897D+01  0.415993D+01  0.502650D+00  0.514979D+01
      5   0.193163D+02 -0.541177D+00 -0.989275D-01  0.861282D+00 -0.190124D+00
      6  -0.100378D+02  0.669468D+00 -0.313535D+00  0.565890D+00  0.144395D+00
                86            87            88            89            90 
      1  -0.193194D+02 -0.282329D+00 -0.260341D+01 -0.257808D+01 -0.475708D+01
      2   0.324413D+02  0.205816D+01  0.163605D+01  0.410150D+01  0.265374D+01
      3  -0.131219D+02 -0.177583D+01  0.967366D+00 -0.152343D+01  0.210334D+01
      4  -0.180759D+02 -0.810200D+00  0.720699D+00 -0.325048D+01 -0.195586D+01
      5  -0.707565D+00 -0.212261D+01  0.672935D+00 -0.251687D+01  0.210689D+00
      6   0.446743D-01  0.519910D+01  0.257518D+00  0.606836D+01  0.134044D+01
                91            92            93            94            95 
      1  -0.118372D+02 -0.262415D+01  0.167505D+00 -0.141249D+02 -0.681337D+01
      2   0.104972D+02 -0.227514D+00 -0.173834D+00  0.773115D+01  0.112294D+02
      3   0.134002D+01  0.285166D+01  0.632891D-02  0.639374D+01 -0.441601D+01
      4  -0.142131D+01  0.428997D+00 -0.512263D+00  0.838797D+01 -0.172088D+02
      5   0.983528D+00  0.301448D+00 -0.176577D+01  0.119618D+01  0.164278D+00
      6  -0.564472D+00 -0.170599D+00 -0.214831D+01 -0.313602D+00  0.472443D+00
                96            97            98            99           100 
      1   0.346612D+00  0.125063D+01  0.233091D-01 -0.104239D+01 -0.768887D+00
      2  -0.288607D+00 -0.872884D+00 -0.157418D+00  0.251963D+00  0.112744D+01
      3  -0.580048D-01 -0.377742D+00  0.134109D+00  0.790426D+00 -0.358549D+00
      4  -0.701083D+00 -0.363923D+00  0.519747D-01 -0.274000D+01  0.235759D+01
      5  -0.406663D+01  0.267608D+01 -0.254025D+01  0.137733D-01  0.251831D+01
      6   0.173973D+01 -0.161587D+01  0.294537D+01  0.128393D+00  0.270333D+01
               101           102           103           104           105 
      1  -0.116486D+01 -0.812539D+00  0.183771D-02 -0.361093D+01 -0.183330D+01
      2   0.220819D+01  0.578872D+00  0.706729D+00  0.448636D+01  0.245690D+01
      3  -0.104333D+01  0.233667D+00 -0.708567D+00 -0.875428D+00 -0.623598D+00
      4   0.493255D+01  0.303021D+01  0.439128D+01  0.296492D+01  0.279522D+01
      5   0.171014D+01  0.417124D+01  0.853566D+00  0.182509D+01  0.159458D+01
      6   0.325108D+01  0.561917D+01  0.289694D+01  0.354763D+01  0.668974D+01
               106           107           108           109           110 
      1  -0.142129D+00 -0.604808D+01 -0.853641D+01  0.198195D+00 -0.409362D+01
      2  -0.100088D+01  0.497608D+01 -0.204974D+01  0.598440D+01  0.107019D+02
      3   0.114301D+01  0.107200D+01  0.105862D+02 -0.618259D+01 -0.660826D+01
      4   0.565379D+01  0.541925D+01  0.668304D+01  0.129642D+02  0.148935D+02
      5   0.428869D+01  0.344837D+01  0.793460D+01 -0.413762D+01 -0.348598D+01
      6   0.705208D+01  0.989804D+01  0.221298D+02 -0.680532D+01 -0.689261D+01
               111           112           113           114           115 
      1   0.386558D+00 -0.245309D+01 -0.648813D+01  0.168532D+01  0.187187D+01
      2  -0.305334D+01  0.790802D+01  0.144044D+02 -0.435193D+01 -0.366897D+01
      3   0.266678D+01 -0.545494D+01 -0.791623D+01  0.266661D+01  0.179710D+01
      4  -0.574447D+01  0.133035D+02  0.119319D+02 -0.474964D+01 -0.864765D+01
      5   0.456371D+01 -0.175292D+01 -0.308122D+01  0.185102D+01  0.453621D+01
      6   0.695786D+01 -0.571541D+01 -0.724456D+01  0.622444D+01  0.755948D+01
               116           117           118           119           120 
      1   0.417772D+01 -0.334843D+01  0.149281D+02 -0.363892D+01 -0.832316D+01
      2  -0.662826D+01  0.276041D+01 -0.872498D+01  0.187310D+01  0.535324D+01
      3   0.245054D+01  0.588022D+00 -0.620315D+01  0.176582D+01  0.296992D+01
      4  -0.760984D+01  0.686442D+01 -0.566994D+01  0.495743D+01  0.385151D+01
      5   0.387628D+01 -0.400013D+01 -0.983351D+01  0.302972D+01  0.123107D+02
      6   0.944846D+01 -0.797952D+01  0.269802D+01 -0.759542D+00 -0.181145D+01
               121           122           123           124           125 
      1  -0.601927D+01  0.268163D+01  0.358511D+01 -0.154023D+02  0.260425D+01
      2   0.259731D+01 -0.824703D+00 -0.183490D+01  0.113561D+02 -0.220518D+01
      3   0.342196D+01 -0.185693D+01 -0.175021D+01  0.404620D+01 -0.399078D+00
      4   0.790680D+01 -0.554789D+01 -0.670006D+01  0.784665D+01 -0.787731D+01
      5   0.590200D+01 -0.579046D+01 -0.972768D+01  0.189213D+02 -0.787521D+01
      6  -0.295383D+01  0.259263D+01  0.504575D+01 -0.462204D+01  0.362783D+01
               126 
      1   0.868806D+01
      2  -0.111440D+02
      3   0.245591D+01
      4  -0.936382D+01
      5  -0.289810D+02
      6   0.685447D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168312D+01      0.427807D+01      0.142701D+02
   x          0.130989D+01      0.332940D+01      0.111057D+02
   y          0.957810D+00      0.243451D+01      0.812065D+01
   z         -0.446869D+00     -0.113583D+01     -0.378871D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.544983D+02      0.807582D+01      0.898556D+01
   aniso      0.155092D+02      0.229822D+01      0.255711D+01
   xx         0.600136D+02      0.889309D+01      0.989490D+01
   yx         0.298583D+00      0.442454D-01      0.492297D-01
   yy         0.590340D+02      0.874793D+01      0.973338D+01
   zx        -0.192291D+01     -0.284946D+00     -0.317046D+00
   zy         0.621864D+00      0.921507D-01      0.102532D+00
   zz         0.444475D+02      0.658644D+01      0.732840D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.612616D+02      0.907803D+01      0.101007D+02
   aniso      0.179937D+02      0.266639D+01      0.296676D+01
   xx         0.681343D+02      0.100965D+02      0.112338D+02
   yx         0.145581D+00      0.215729D-01      0.240030D-01
   yy         0.661288D+02      0.979928D+01      0.109032D+02
   zx        -0.184437D+01     -0.273307D+00     -0.304095D+00
   zy         0.357033D+00      0.529069D-01      0.588669D-01
   zz         0.495217D+02      0.733836D+01      0.816503D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.15937944          1.40508785          0.96137003
     6         -0.45369107          0.20777921          0.67238291
     6         -1.07434978         -0.24778926         -2.13047687
     8         -2.29603885         -2.41541495         -2.56178069
     8          2.69255891          1.99848330          3.52867515
     7         -0.80916508         -2.12887249          2.11801430
     8         -0.54750332          1.23109768         -3.77022085
     1         -1.87095801          1.56654239          1.32456829
     1          3.59973026          0.04785117          0.37014690
     1          2.30956209          3.05172650         -0.26887256
     1         -2.44644943         -3.23240563         -0.89658140
     1          0.83420529         -3.11326653          2.21789674
     1         -1.32737517         -1.75133778          3.91802093
     1          1.98526579          3.62921337          3.91567461

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168312D+01      0.427807D+01      0.142701D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168312D+01      0.427807D+01      0.142701D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.544983D+02      0.807582D+01      0.898556D+01
   aniso      0.155092D+02      0.229822D+01      0.255711D+01
   xx         0.484574D+02      0.718065D+01      0.798955D+01
   yx         0.629689D+01      0.933103D+00      0.103822D+01
   yy         0.555673D+02      0.823423D+01      0.916182D+01
   zx         0.285343D+01      0.422835D+00      0.470467D+00
   zy        -0.109872D+01     -0.162813D+00     -0.181154D+00
   zz         0.594703D+02      0.881259D+01      0.980532D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.612616D+02      0.907803D+01      0.101007D+02
   aniso      0.179937D+02      0.266639D+01      0.296676D+01
   xx         0.548712D+02      0.813107D+01      0.904703D+01
   yx         0.755578D+01      0.111965D+01      0.124578D+01
   yy         0.619576D+02      0.918117D+01      0.102154D+02
   zx         0.357829D+01      0.530248D+00      0.589981D+00
   zy        -0.107513D+01     -0.159318D+00     -0.177265D+00
   zz         0.669561D+02      0.992187D+01      0.110396D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-16\Freq\RB3LYP\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,1.251931,-0.663665,0.331107\C,0.190209,0.204684,-0.343882
 \C,-1.219712,-0.345036,-0.068508\O,-2.135841,0.604858,0.141712\O,2.566
 231,-0.22295,0.011296\N,0.254758,1.625934,0.01027\O,-1.47577,-1.518722
 ,-0.066506\H,0.319391,0.128518,-1.428362\H,1.154507,-0.574017,1.416069
 \H,1.091659,-1.710334,0.069937\H,-1.642859,1.455867,0.09184\H,0.567016
 ,1.739291,0.969467\H,0.922994,2.115293,-0.56973\H,2.832457,-0.617545,-
 0.825436\\Version=ES64L-G16RevA.03\State=1-A\HF=-399.1519195\RMSD=9.94
 8e-09\RMSF=1.550e-05\ZeroPoint=0.1130578\Thermal=0.1208887\Dipole=1.30
 98879,0.9578099,-0.4468688\DipoleDeriv=0.8800125,0.0309607,-0.1116621,
 -0.0126177,0.1863162,-0.0460773,-0.1080084,-0.0133331,0.3151096,-0.121
 9515,0.0427468,0.1143489,0.0206446,0.4448158,0.0560497,0.039676,0.1243
 05,0.1744324,1.2177336,-0.2242157,-0.1737402,-0.0149346,1.7100275,0.07
 90852,-0.2367166,0.0839174,0.2689037,-0.9261019,0.4747799,0.0818547,0.
 1501253,-1.019601,-0.077751,0.1245531,-0.1173846,-0.3364644,-1.0401705
 ,0.0331569,0.0836839,-0.0383501,-0.4304576,0.1239672,0.1283757,0.12976
 94,-0.3314178,-0.5504826,0.0447507,-0.0273515,0.0528214,-0.7047312,-0.
 0050147,-0.0110669,-0.0357664,-0.2173246,-0.6573476,-0.2434878,0.01619
 81,-0.1155332,-1.1714881,-0.0238793,0.0407316,0.0057649,-0.3720596,0.0
 345367,-0.0065773,0.0162448,-0.0159747,-0.0051156,0.0003868,0.0074627,
 -0.0214536,-0.0836848,-0.0087919,0.0103716,0.0222365,0.0093853,0.04939
 5,-0.0478127,0.0330266,-0.0064172,-0.1211167,0.0003997,0.0053318,0.016
 9267,-0.0207464,-0.0977188,-0.0125629,0.0014631,-0.0465235,0.0499167,0
 .546366,0.0900451,-0.0007562,0.0912075,0.3834557,0.0040187,-0.0142498,
 0.0011328,0.2610316,0.2040019,-0.0759801,-0.0743886,-0.0354295,0.18055
 52,0.0606168,-0.0439787,0.0049286,0.0778899,0.1093085,-0.1296895,0.067
 2626,-0.0271817,0.2083048,-0.0477952,0.0337337,-0.0383701,0.1529225,0.
 3124872,-0.0521932,-0.0308578,-0.0434162,0.266242,-0.0632314,0.0049979
 ,-0.0705694,0.1618615\Polar=60.0135687,0.2985829,59.0339546,-1.9229143
 ,0.621864,44.4474993\Quadrupole=-5.4386854,0.8984749,4.5402105,-3.3968
 6,-2.5639437,0.8136074\PG=C01 [X(C3H7N1O3)]\NImag=0\\0.43294567,0.0239
 3840,0.56916658,-0.01680784,0.05967623,0.59336625,-0.09922303,0.023492
 69,-0.02858036,0.45073031,0.04056696,-0.10807819,0.03181407,-0.0036931
 0,0.48157704,-0.03700793,0.02274883,-0.10788134,-0.01650217,0.01049119
 ,0.56995192,-0.03590714,0.00350764,0.00286331,-0.13975028,-0.02822757,
 0.01032534,0.53537106,0.00753799,0.01891601,-0.01023846,0.00047568,-0.
 07507528,0.00554515,0.09102408,1.01118810,-0.01003791,-0.00974376,0.00
 559532,0.00831168,0.01089967,-0.09508042,-0.05378220,0.01370638,0.2374
 4955,0.00139800,-0.00597318,0.00564894,-0.03506599,0.02764953,0.009117
 95,-0.23406670,0.04944339,0.03486894,0.40843470,-0.00247786,0.00065422
 ,-0.00041483,0.00435627,-0.00665909,-0.00408587,0.10236656,-0.16298806
 ,-0.02302040,0.05030891,0.57124549,-0.00014402,0.00381811,-0.00253269,
 0.01374740,-0.00960038,0.02039081,0.03638414,-0.01346259,-0.06302965,-
 0.06492147,0.01574623,0.04813235,-0.19148060,-0.06403201,0.01445547,-0
 .05084142,-0.01330509,0.00784684,0.00427354,0.00801422,-0.00584287,-0.
 00593853,0.00203392,0.00263114,0.34272996,-0.03654737,-0.08929444,-0.0
 1603447,0.01235532,0.00658960,-0.00377725,0.00101712,-0.00637339,0.001
 39108,0.00118716,0.00182200,-0.00025296,0.03104061,0.18220543,0.051501
 85,0.00583830,-0.09288902,-0.00869746,-0.00506571,0.00646835,-0.001965
 13,0.00321489,0.00087868,-0.00112688,-0.00040158,-0.00017905,-0.167674
 11,0.18971053,0.46862672,-0.00017994,0.02307458,0.00572293,-0.06669589
 ,-0.03483720,-0.00262715,-0.00944515,-0.01865869,-0.00498939,-0.010426
 34,-0.02075153,-0.00026342,0.00297116,0.00268146,0.00000109,0.35092959
 ,-0.00138356,-0.03885714,-0.00799945,0.01191966,-0.18631577,-0.0197019
 5,-0.00636345,-0.02519363,-0.00438156,-0.00547101,-0.00200628,0.000313
 94,-0.00062830,0.00338166,-0.00046784,0.18873483,0.44604141,0.00372482
 ,0.01170952,0.00447863,0.01060336,-0.02893506,-0.10455709,0.00063828,0
 .00591548,0.00223600,0.00288838,0.00410606,0.00507940,-0.00048569,-0.0
 0045358,0.00099564,-0.04422836,-0.03269869,0.66153951,0.00134222,0.000
 38259,0.00056136,0.00064173,-0.03216781,0.00220318,-0.14998935,-0.1562
 4178,0.00701218,0.03167425,0.04311636,-0.00129324,-0.00192119,-0.00094
 849,-0.00001905,-0.00331352,-0.00561602,0.00241283,0.13357436,0.004274
 53,-0.00658669,0.00230059,-0.01602644,-0.02448700,0.00101698,-0.165687
 61,-0.69508632,0.00558462,0.02442904,-0.10067082,-0.00907126,-0.001525
 56,0.00327734,-0.00074117,-0.00873861,-0.00355572,0.00236693,0.1548613
 9,0.82277211,0.00089974,0.00151632,-0.00060665,0.00381601,0.00545928,0
 .01956523,0.00609882,0.00396926,-0.07689487,-0.00187882,-0.01268948,0.
 01427469,0.00063614,-0.00057552,0.00036087,0.00143903,0.00085242,0.001
 08704,-0.01131083,0.00212294,0.03419877,0.00098170,0.00067968,-0.02571
 619,-0.05017011,0.00194628,0.03939582,-0.00383846,0.00034029,0.0345314
 8,-0.00389860,0.00068463,-0.00402489,0.00324353,-0.00096543,0.00084712
 ,0.00081118,-0.00187486,-0.00392542,-0.00112411,-0.00036045,-0.0043372
 7,0.05548299,-0.00090690,0.00005859,0.02164520,-0.00055629,-0.04621702
 ,-0.00765710,0.00016545,0.00036546,0.01043446,-0.00056798,0.00085022,-
 0.00047040,-0.00179143,0.00021354,-0.00144662,0.00258127,-0.01077857,-
 0.03725029,-0.00113074,-0.00057027,-0.00148496,-0.00148223,0.06116599,
 0.00159334,0.00180843,-0.01833296,0.03201095,-0.01762068,-0.29400222,0
 .00277487,0.00019118,-0.00770481,0.00068911,0.00059055,0.00039539,0.00
 060113,-0.00081467,0.00323270,0.00022228,-0.00328076,-0.00821951,0.000
 31410,0.00009696,0.00155911,-0.03496759,0.01823496,0.32061390,-0.04475
 554,0.00171820,0.00824183,0.00010131,-0.00117155,-0.02480057,0.0022673
 9,0.00093360,-0.00099639,-0.00030644,0.00009756,0.00023836,-0.01728412
 ,0.00290060,0.03875386,0.00067687,-0.00189997,0.00075934,-0.00025859,-
 0.00070210,0.00056542,-0.00297888,0.00318703,-0.00197578,0.06520526,0.
 00213422,-0.05645961,-0.02961797,0.00262959,-0.00009227,0.02041722,-0.
 00102231,0.00013126,-0.00005223,0.00000549,-0.00028446,-0.00024312,-0.
 00382556,0.00358999,0.01139850,-0.00063586,0.00260556,0.00105231,-0.00
 020990,0.00017047,0.00050519,0.00249782,-0.00138730,0.00197879,-0.0016
 6681,0.05310538,0.01638323,-0.02605796,-0.30007524,-0.00273502,-0.0023
 7525,-0.01697125,0.00133014,0.00138263,-0.00072421,-0.00076003,0.00030
 101,0.00029221,0.01016773,-0.00002195,-0.00641846,0.00067087,-0.000577
 86,0.00226488,-0.00057034,-0.00075492,0.00054377,-0.00211192,0.0013436
 5,0.00021690,-0.02212316,0.02420786,0.32669494,-0.05199024,-0.02396118
 ,-0.00587375,0.00543405,0.01896376,0.00769560,0.00060238,0.00336359,0.
 00031650,0.00023732,-0.00147511,-0.00005661,-0.01933168,-0.03660119,-0
 .00366354,-0.00388926,0.00524265,-0.00223939,-0.00150454,-0.00208979,-
 0.00012909,0.00091102,-0.00052965,-0.00025119,0.00184993,0.00208483,-0
 .00024430,0.06526144,-0.02577530,-0.29039581,-0.06459348,-0.00060567,-
 0.01737551,-0.00701643,-0.00028736,-0.00408416,0.00029291,0.00007964,0
 .00149631,-0.00005856,-0.00790581,-0.00426843,0.00133905,0.00273658,-0
 .00239775,0.00198116,-0.00224850,0.00247971,-0.00015472,-0.00047256,0.
 00080687,0.00032217,0.00057197,-0.00092665,-0.00106154,0.03545995,0.31
 388036,-0.00796156,-0.06817443,-0.07322402,-0.00021753,0.01512215,0.00
 381870,0.00010195,-0.00038554,0.00021894,-0.00006546,0.00009166,0.0002
 0512,0.00573169,0.01129310,0.00411227,-0.00245343,0.00247007,-0.000029
 67,-0.00036146,0.00006497,-0.00058177,0.00103342,-0.00021356,0.0007668
 9,-0.00260132,-0.03046409,-0.00695065,0.00714133,0.06814214,0.06966367
 ,0.00025479,-0.00125339,-0.00017538,-0.00747964,0.01187419,0.00319721,
 0.03135658,0.01585354,-0.00624981,-0.14888126,-0.17546542,0.01589664,-
 0.00028379,-0.00086285,0.00015149,0.00561399,0.00336708,-0.00413054,-0
 .00844001,0.01308690,0.00355329,-0.00020276,-0.00066323,-0.00037287,0.
 00001030,0.00019494,-0.00010629,0.00075843,-0.00078297,0.00009742,0.12
 476334,0.00071987,-0.00252679,0.00019062,0.00156617,0.00420024,0.00114
 238,-0.00229965,-0.05639981,-0.00205512,-0.14264924,-0.30695286,0.0129
 0973,-0.00170652,-0.00009159,-0.00005533,0.00456107,-0.00370803,-0.000
 80792,0.00288044,0.00430593,-0.00057258,-0.00048939,-0.00050229,-0.000
 03279,-0.00009001,0.00017888,-0.00015725,0.00036780,-0.00051186,0.0001
 3140,0.13772348,0.36311754,-0.00008539,-0.00060025,0.00028614,0.001492
 55,-0.00097706,-0.00105705,-0.00512101,-0.00657750,-0.00220144,0.01707
 053,0.02012257,-0.02325562,-0.00021598,0.00015057,-0.00007280,-0.00074
 640,0.00039519,-0.00826892,0.00255983,-0.00205936,0.00646952,0.0009240
 3,-0.00010211,-0.00035482,-0.00014008,0.00005495,-0.00015961,-0.000029
 64,0.00008326,0.00000603,-0.01266416,-0.01049333,0.02844526,0.00092747
 ,0.00031150,0.00135284,-0.00264679,0.00520858,0.00208878,0.00128744,-0
 .00247224,-0.00213765,-0.00171969,0.00001679,0.00263525,-0.00025535,-0
 .00018988,-0.00044530,-0.06669976,-0.03321261,-0.13649839,-0.00068497,
 0.00028868,0.00051637,0.00048940,0.00135343,0.00072305,0.00037115,-0.0
 0030646,-0.00002912,0.00012560,-0.00034485,-0.00002385,-0.00035609,-0.
 00003053,-0.00480398,0.06333925,0.00009847,0.00222996,-0.00276144,-0.0
 1089822,-0.00729688,-0.03924903,0.00071765,-0.00064842,-0.00132024,0.0
 0012030,0.00043650,-0.00047620,0.00018080,-0.00020883,0.00059998,-0.02
 311057,-0.05471622,-0.01576642,-0.00037769,-0.00059881,0.00072782,-0.0
 0113497,-0.00640854,-0.00145979,0.00032986,-0.00034795,0.00161779,-0.0
 0062203,0.00049798,0.00053766,-0.00018083,0.00003770,0.00120416,0.0267
 4687,0.06428595,-0.00081953,0.00179226,0.00336135,-0.00366075,-0.00201
 185,-0.00898781,0.00027041,-0.00056422,-0.00042884,0.00024084,0.000689
 00,-0.00023932,0.00066078,0.00048740,-0.00022157,-0.09208535,-0.033239
 79,-0.37522771,0.00008236,0.00023490,0.00000341,-0.00098728,-0.0016134
 6,0.00126487,0.00089570,-0.00076844,0.00000069,-0.00065462,0.00061310,
 0.00001800,-0.00104311,-0.00059079,0.00032834,0.10857630,0.03700816,0.
 40323846,0.00179233,0.00213712,-0.00017257,-0.00399741,0.00659267,-0.0
 0226695,-0.00137241,0.00058403,-0.00041925,-0.00201501,-0.00269740,-0.
 00088110,-0.00049706,-0.00088302,0.00066266,-0.20077349,-0.15231425,0.
 17080697,-0.00046073,-0.00193587,0.00019475,0.00087581,-0.00009166,-0.
 00035777,-0.00002930,-0.00010820,0.00014465,-0.00063661,0.00039661,0.0
 0017141,0.00310924,-0.00058192,0.00173352,0.00588874,0.00820942,-0.011
 51834,0.19824535,-0.00243778,-0.00209658,0.00017887,-0.02517195,-0.020
 13775,0.02095139,0.00465598,-0.00563107,-0.00198000,0.00164584,0.00329
 414,0.00087798,0.00042084,0.00179363,-0.00090136,-0.11808839,-0.124145
 48,0.08840358,-0.00221842,-0.00086552,0.00043172,0.00019515,0.00222929
 ,-0.00018565,-0.00001067,-0.00001226,-0.00015896,0.00035152,-0.0002133
 9,-0.00010696,-0.00302267,-0.00113684,-0.00119928,0.00291669,0.0026438
 5,-0.00225547,0.14042076,0.14458353,0.00025640,0.00024899,-0.00082775,
 -0.00840931,-0.00638108,0.00638763,0.00020292,-0.00267704,0.00023046,-
 0.00144289,-0.00126385,0.00021278,0.00030361,-0.00068432,-0.00030772,0
 .13954133,0.09795963,-0.18090542,-0.00138728,-0.00132960,0.00005103,-0
 .00078915,-0.00111331,0.00090379,-0.00002541,-0.00000256,0.00016493,0.
 00003948,-0.00014459,0.00022036,0.00185773,0.00045223,-0.00016501,0.02
 792453,0.01940178,-0.02301111,-0.15807487,-0.10409899,0.19684659,-0.01
 610568,0.01597737,0.03847941,-0.00103684,0.00060035,0.00133406,-0.0007
 8890,-0.00019769,-0.00058530,0.00057429,-0.00011370,0.00005181,-0.0653
 8444,0.02581597,0.09167340,0.00042056,-0.00050019,-0.00032617,0.000464
 45,0.00012588,-0.00006357,-0.00058271,0.00043294,-0.00100363,-0.004869
 33,-0.00177178,-0.00001644,0.00217215,-0.00082174,-0.00059263,-0.00022
 311,0.00002841,0.00002619,-0.00006639,-0.00007907,0.00004258,-0.000129
 44,0.00034309,0.00000292,0.08555541,-0.00974168,0.00326990,0.01585452,
 0.00015628,-0.00063212,-0.00082552,0.00043347,0.00087929,0.00024420,-0
 .00020790,-0.00023732,-0.00003051,0.05302990,-0.10263653,-0.20302163,0
 .00045106,-0.00035405,0.00037692,-0.00008144,-0.00058442,-0.00010770,0
 .00043602,0.00017401,0.00017130,-0.00419773,-0.00027106,0.00231274,-0.
 00055515,0.00101234,0.00149145,0.00013122,-0.00001021,-0.00000181,-0.0
 0028596,0.00009370,0.00021921,0.00027172,-0.00030556,-0.00036731,-0.03
 983982,0.09960201,-0.00149520,-0.00458059,-0.01071803,-0.00117936,-0.0
 0081930,0.00195453,-0.00012182,-0.00001962,-0.00054471,-0.00032912,0.0
 0022893,0.00025357,0.13118412,-0.18041797,-0.38458662,-0.00020403,0.00
 035665,-0.00047278,-0.00020365,0.00016742,-0.00003016,0.00012783,-0.00
 030648,-0.00033924,0.00320821,0.00153360,0.00112110,-0.00205078,0.0002
 5553,0.00175613,-0.00001162,-0.00006125,-0.00000001,0.00012116,-0.0000
 6422,-0.00009876,-0.00002312,0.00004314,0.00019946,-0.12902262,0.18368
 414,0.39150553\\-0.00002694,-0.00000386,-0.00002143,0.00004584,-0.0000
 1375,0.00003425,-0.00003077,-0.00001622,0.00000176,-0.00000075,-0.0000
 0701,-0.00000111,0.00001230,0.00002975,-0.00001554,-0.00000465,0.00001
 698,-0.00001031,0.00000430,0.00003292,0.00000027,-0.00001040,0.0000058
 4,-0.00000075,0.00000392,-0.00000537,0.00000098,-0.00000121,-0.0000004
 3,-0.00000125,0.00001739,-0.00001243,-0.00000467,-0.00001446,-0.000005
 50,0.00000006,0.00000221,-0.00000732,0.00000387,0.00000321,-0.00001359
 ,0.00001387\\\@


 IF YOU DON'T HAVE THE LAW - ARGUE THE FACTS.
 IF YOU DON'T HAVE THE FACTS - ARGUE THE LAW.
 IF YOU DON'T HAVE EITHER - POUND THE TABLE.
 Job cpu time:       0 days  1 hours 18 minutes 37.0 seconds.
 Elapsed time:       0 days  0 hours  9 minutes 51.7 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:45:12 2021.
